N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide

C34H37F2N7O8 — CID 175163554

IUPACN-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide
SMILESCN(C(=O)C1(O)CCN(c2ccc3[nH]c(C(=O)NCCCCCNc4ccc5c(c4)ON(C4CCONO4)O5)cc3c2)O1)c1cc(F)cc(F)c1
InChIInChI=1S/C34H37F2N7O8/c1-41(26-18-22(35)17-23(36)19-26)33(45)34(46)10-13-42(51-34)25-6-7-27-21(15-25)16-28(39-27)32(44)38-12-4-2-3-11-37-24-5-8-29-30(20-24)50-43(49-29)31-9-14-47-40-48-31/h5-8,15-20,31,37,39-40,46H,2-4,9-14H2,1H3,(H,38,44)
InChIKeyFDUARRYNWJODIS-UHFFFAOYSA-N
MW709.71 g/mol
LogP4.04
Rot. Bonds12

About N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide

N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 175163554) has the molecular formula C34H37F2N7O8 and a molecular weight of 709.71 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID175163554
Molecular FormulaC34H37F2N7O8
Molecular Weight709.71 g/mol
Exact Mass709.27
IUPAC NameN-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide
SMILESCN(C(=O)C1(O)CCN(c2ccc3[nH]c(C(=O)NCCCCCNc4ccc5c(c4)ON(C4CCONO4)O5)cc3c2)O1)c1cc(F)cc(F)c1
InChIInChI=1S/C34H37F2N7O8/c1-41(26-18-22(35)17-23(36)19-26)33(45)34(46)10-13-42(51-34)25-6-7-27-21(15-25)16-28(39-27)32(44)38-12-4-2-3-11-37-24-5-8-29-30(20-24)50-43(49-29)31-9-14-47-40-48-31/h5-8,15-20,31,37,39-40,46H,2-4,9-14H2,1H3,(H,38,44)
InChIKeyFDUARRYNWJODIS-UHFFFAOYSA-N
XLogP4.04
TPSA162.12 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.71
LogP ≤ 54.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide 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

(5S)-N-[(3,5-difluorophenyl)methyl]-2-[2-[2-[2-[2-[2-[2-[3-[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-4-yl]prop-2-ynoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide
CID 175156118
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 46555928
N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide
CID 143176250
5-[(3R)-3-[(3,5-difluorophenyl)methylcarbamoyl]-2-oxopyrrolidin-1-yl]-N-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butoxy]butoxy]butyl]-1H-indole-2-carboxamide
CID 167004743
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
CID 46557541
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
CID 159082495
5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 46557915
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide (CID 175163554) is N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide is CN(C(=O)C1(O)CCN(c2ccc3[nH]c(C(=O)NCCCCCNc4ccc5c(c4)ON(C4CCONO4)O5)cc3c2)O1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is FDUARRYNWJODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F2N7O8/c1-41(26-18-22(35)17-23(36)19-26)33(45)34(46)10-13-42(51-34)25-6-7-27-21(15-25)16-28(39-27)32(44)38-12-4-2-3-11-37-24-5-8-29-30(20-24)50-43(49-29)31-9-14-47-40-48-31/h5-8,15-20,31,37,39-40,46H,2-4,9-14H2,1H3,(H,38,44).
What are the key properties of N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide?
N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 709.71 g/mol, XLogP of 4.04, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[2-[5-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]pentylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-N-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 175163554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).