6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde

C98H101F4N11O15 — CID 157344707

IUPAC6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ncco1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1.COc1ccc2c(C(=O)O)c(C(C)C)n(Cc3ncco3)c2c1.COc1ccc2c(C=O)c(C(C)C)[nH]c2c1.COc1ccc2c(C=O)c(C(C)C)n(Cc3ncco3)c2c1
InChIInChI=1S/C28H29F2N3O3.C23H21F2N3O3.C17H18N2O4.C17H18N2O3.C13H15NO2/c1-17(2)27-26(28(34)32-15-18-7-10-22(29)23(30)13-18)21-9-8-20(36-19-5-3-4-6-19)14-24(21)33(27)16-25-31-11-12-35-25;1-13(2)22-21(23(30)27-11-14-3-6-17(24)18(25)9-14)16-5-4-15(29)10-19(16)28(22)12-20-26-7-8-31-20;1-10(2)16-15(17(20)21)12-5-4-11(22-3)8-13(12)19(16)9-14-18-6-7-23-14;1-11(2)17-14(10-20)13-5-4-12(21-3)8-15(13)19(17)9-16-18-6-7-22-16;1-8(2)13-11(7-15)10-5-4-9(16-3)6-12(10)14-13/h7-14,17,19H,3-6,15-16H2,1-2H3,(H,32,34);3-10,13,29H,11-12H2,1-2H3,(H,27,30);4-8,10H,9H2,1-3H3,(H,20,21);4-8,10-11H,9H2,1-3H3;4-8,14H,1-3H3
InChIKeyBGUWOSXCGXDNDU-UHFFFAOYSA-N
MW1748.94 g/mol
LogP21.29
Rot. Bonds27

About 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde

6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde (PubChem CID 157344707) has the molecular formula C98H101F4N11O15 and a molecular weight of 1748.94 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde
PubChem CID157344707
Molecular FormulaC98H101F4N11O15
Molecular Weight1748.94 g/mol
Exact Mass1747.74
IUPAC Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ncco1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1.COc1ccc2c(C(=O)O)c(C(C)C)n(Cc3ncco3)c2c1.COc1ccc2c(C=O)c(C(C)C)[nH]c2c1.COc1ccc2c(C=O)c(C(C)C)n(Cc3ncco3)c2c1
InChIInChI=1S/C28H29F2N3O3.C23H21F2N3O3.C17H18N2O4.C17H18N2O3.C13H15NO2/c1-17(2)27-26(28(34)32-15-18-7-10-22(29)23(30)13-18)21-9-8-20(36-19-5-3-4-6-19)14-24(21)33(27)16-25-31-11-12-35-25;1-13(2)22-21(23(30)27-11-14-3-6-17(24)18(25)9-14)16-5-4-15(29)10-19(16)28(22)12-20-26-7-8-31-20;1-10(2)16-15(17(20)21)12-5-4-11(22-3)8-13(12)19(16)9-14-18-6-7-23-14;1-11(2)17-14(10-20)13-5-4-12(21-3)8-15(13)19(17)9-16-18-6-7-22-16;1-8(2)13-11(7-15)10-5-4-9(16-3)6-12(10)14-13/h7-14,17,19H,3-6,15-16H2,1-2H3,(H,32,34);3-10,13,29H,11-12H2,1-2H3,(H,27,30);4-8,10H,9H2,1-3H3,(H,20,21);4-8,10-11H,9H2,1-3H3;4-8,14H,1-3H3
InChIKeyBGUWOSXCGXDNDU-UHFFFAOYSA-N
XLogP21.29
TPSA326.42 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.94
LogP ≤ 521.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-Difluorobenzyl)-6-isopropoxy-2-isopropyl-1-(oxazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 59762366
6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
CID 59762369
N-(3,4-Difluorobenzyl)-2-isopropyl-1-(oxazol-2-ylmethyl)-6-propoxy-1H-indole-3-carboxamide
CID 59762449
benzyl N-[(2S)-1-[[(1S)-1-[5-(5-fluoro-1H-indol-3-yl)-4-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2,2-dimethylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 137252339
N-(3,4-difluorobenzyl)-6-hydroxy-2-isopropyl-1-(oxazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 59762311
methyl 5-(5-fluoro-1H-indol-3-yl)-2-[(1S)-1-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxylate
CID 70935373
4-[5-(4-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]-2-[3-[2-(1H-indol-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-5-(trifluoromethyl)phenyl]phenol
CID 126495265
4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol
CID 145233742
4-[2-[[4,5-bis(ethenyl)-1H-pyrrol-3-yl]methyl]-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]phenol;2-(1H-indol-3-yl)-4,5-bis[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 145233758
benzyl 2-[(6S,12S,15R,18S,21S,24S,30R)-30-acetamido-3-carbamoyl-21,24-bis[(5-fluoro-1H-indol-3-yl)methyl]-12-[(4-hydroxyphenyl)methyl]-6-methyl-5,11,14,17,20,23,26,29,32-nonaoxo-15-(3H-pyrrol-4-ylmethyl)-36-oxa-4,10,13,19,22,25,28,33-octazatricyclo[35.2.2.06,10]hentetraconta-1(40),37(41),38-trien-18-yl]acetate
CID 157107131
ethane;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2R,4S)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2R,4S)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172983
ethane;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2S,4R)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2S,4R)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172984

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde (CID 157344707) is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ncco1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1.COc1ccc2c(C(=O)O)c(C(C)C)n(Cc3ncco3)c2c1.COc1ccc2c(C=O)c(C(C)C)[nH]c2c1.COc1ccc2c(C=O)c(C(C)C)n(Cc3ncco3)c2c1.
What is the InChIKey of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde?
The InChIKey is BGUWOSXCGXDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O3.C23H21F2N3O3.C17H18N2O4.C17H18N2O3.C13H15NO2/c1-17(2)27-26(28(34)32-15-18-7-10-22(29)23(30)13-18)21-9-8-20(36-19-5-3-4-6-19)14-24(21)33(27)16-25-31-11-12-35-25;1-13(2)22-21(23(30)27-11-14-3-6-17(24)18(25)9-14)16-5-4-15(29)10-19(16)28(22)12-20-26-7-8-31-20;1-10(2)16-15(17(20)21)12-5-4-11(22-3)8-13(12)19(16)9-14-18-6-7-23-14;1-11(2)17-14(10-20)13-5-4-12(21-3)8-15(13)19(17)9-16-18-6-7-22-16;1-8(2)13-11(7-15)10-5-4-9(16-3)6-12(10)14-13/h7-14,17,19H,3-6,15-16H2,1-2H3,(H,32,34);3-10,13,29H,11-12H2,1-2H3,(H,27,30);4-8,10H,9H2,1-3H3,(H,20,21);4-8,10-11H,9H2,1-3H3;4-8,14H,1-3H3.
What are the key properties of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde?
6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde has a molecular weight of 1748.94 g/mol, XLogP of 21.29, 27 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carbaldehyde;6-methoxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxylic acid;6-methoxy-2-propan-2-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 157344707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).