N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole

C83H76N12O12 — CID 159238061

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCC(=O)Nc1c(-c2c(C)noc2C)n(-c2ccc(O)cc2)c2ccccc12.COc1ccc(-n2c(-c3c(C)noc3C)c(N)c3ccccc32)cc1.COc1ccc(-n2c(-c3c(C)noc3C)c(NC(C)=O)c3ccccc32)cc1.COc1ccc(-n2c(-c3c(C)noc3C)c([N+](=O)[O-])c3ccccc32)cc1
InChIInChI=1S/C22H21N3O3.C21H19N3O3.C20H17N3O4.C20H19N3O2/c1-13-20(14(2)28-24-13)22-21(23-15(3)26)18-7-5-6-8-19(18)25(22)16-9-11-17(27-4)12-10-16;1-12-19(13(2)27-23-12)21-20(22-14(3)25)17-6-4-5-7-18(17)24(21)15-8-10-16(26)11-9-15;1-12-18(13(2)27-21-12)20-19(23(24)25)16-6-4-5-7-17(16)22(20)14-8-10-15(26-3)11-9-14;1-12-18(13(2)25-22-12)20-19(21)16-6-4-5-7-17(16)23(20)14-8-10-15(24-3)11-9-14/h5-12H,1-4H3,(H,23,26);4-11,26H,1-3H3,(H,22,25);4-11H,1-3H3;4-11H,21H2,1-3H3
InChIKeyKTSQUELBRUVVIG-UHFFFAOYSA-N
MW1433.59 g/mol
LogP18.75
Rot. Bonds14

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159238061) has the molecular formula C83H76N12O12 and a molecular weight of 1433.59 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID159238061
Molecular FormulaC83H76N12O12
Molecular Weight1433.59 g/mol
Exact Mass1432.57
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCC(=O)Nc1c(-c2c(C)noc2C)n(-c2ccc(O)cc2)c2ccccc12.COc1ccc(-n2c(-c3c(C)noc3C)c(N)c3ccccc32)cc1.COc1ccc(-n2c(-c3c(C)noc3C)c(NC(C)=O)c3ccccc32)cc1.COc1ccc(-n2c(-c3c(C)noc3C)c([N+](=O)[O-])c3ccccc32)cc1
InChIInChI=1S/C22H21N3O3.C21H19N3O3.C20H17N3O4.C20H19N3O2/c1-13-20(14(2)28-24-13)22-21(23-15(3)26)18-7-5-6-8-19(18)25(22)16-9-11-17(27-4)12-10-16;1-12-19(13(2)27-23-12)21-20(22-14(3)25)17-6-4-5-7-18(17)24(21)15-8-10-16(26)11-9-15;1-12-18(13(2)27-21-12)20-19(23(24)25)16-6-4-5-7-17(16)22(20)14-8-10-15(26-3)11-9-14;1-12-18(13(2)25-22-12)20-19(21)16-6-4-5-7-17(16)23(20)14-8-10-15(24-3)11-9-14/h5-12H,1-4H3,(H,23,26);4-11,26H,1-3H3,(H,22,25);4-11H,1-3H3;4-11H,21H2,1-3H3
InChIKeyKTSQUELBRUVVIG-UHFFFAOYSA-N
XLogP18.75
TPSA299.12 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.59
LogP ≤ 518.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]-3-hydroxythiourea
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CID 123984363
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide
CID 67109704
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] N'-hydroxycarbamimidothioate
CID 87196301
1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde
CID 87365150
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(Z)-N-hydroxy-C-(trifluoromethyl)carbonimidoyl]indol-1-yl]phenol
CID 58392048
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]indol-1-yl]phenol
CID 76774516
4-(4-methoxyanilino)-3-nitro-1-phenylquinolin-2-one
CID 23473427
2-bromo-1-(4-methoxyphenyl)indol-3-amine
CID 70910020
4-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenol
CID 4312871
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(E)-hydroxyiminomethyl]indol-3-yl]phenol
CID 87271783
[6-acetyloxy-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-7-yl]methyl acetate
CID 2265299

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole (CID 159238061) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole is CC(=O)Nc1c(-c2c(C)noc2C)n(-c2ccc(O)cc2)c2ccccc12.COc1ccc(-n2c(-c3c(C)noc3C)c(N)c3ccccc32)cc1.COc1ccc(-n2c(-c3c(C)noc3C)c(NC(C)=O)c3ccccc32)cc1.COc1ccc(-n2c(-c3c(C)noc3C)c([N+](=O)[O-])c3ccccc32)cc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is KTSQUELBRUVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3.C21H19N3O3.C20H17N3O4.C20H19N3O2/c1-13-20(14(2)28-24-13)22-21(23-15(3)26)18-7-5-6-8-19(18)25(22)16-9-11-17(27-4)12-10-16;1-12-19(13(2)27-23-12)21-20(22-14(3)25)17-6-4-5-7-18(17)24(21)15-8-10-16(26)11-9-15;1-12-18(13(2)27-21-12)20-19(23(24)25)16-6-4-5-7-17(16)22(20)14-8-10-15(26-3)11-9-14;1-12-18(13(2)25-22-12)20-19(21)16-6-4-5-7-17(16)23(20)14-8-10-15(24-3)11-9-14/h5-12H,1-4H3,(H,23,26);4-11,26H,1-3H3,(H,22,25);4-11H,1-3H3;4-11H,21H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1433.59 g/mol, XLogP of 18.75, 14 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159238061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).