5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide

C24H29N7O4 — CID 135192066

IUPAC5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nnc(-c2ccc3c(c2)N(C)C(=O)C([C@@H](C)NC(=O)c2n[nH]c(CC4CCCC4)n2)CO3)o1
InChIInChI=1S/C24H29N7O4/c1-13(25-22(32)21-26-20(28-29-21)10-15-6-4-5-7-15)17-12-34-19-9-8-16(23-30-27-14(2)35-23)11-18(19)31(3)24(17)33/h8-9,11,13,15,17H,4-7,10,12H2,1-3H3,(H,25,32)(H,26,28,29)/t13-,17?/m1/s1
InChIKeyRFLHBWPGMHRRIU-FWJOYPJLSA-N
MW479.54 g/mol
LogP2.69
Rot. Bonds6

About 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide

5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 135192066) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID135192066
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nnc(-c2ccc3c(c2)N(C)C(=O)C([C@@H](C)NC(=O)c2n[nH]c(CC4CCCC4)n2)CO3)o1
InChIInChI=1S/C24H29N7O4/c1-13(25-22(32)21-26-20(28-29-21)10-15-6-4-5-7-15)17-12-34-19-9-8-16(23-30-27-14(2)35-23)11-18(19)31(3)24(17)33/h8-9,11,13,15,17H,4-7,10,12H2,1-3H3,(H,25,32)(H,26,28,29)/t13-,17?/m1/s1
InChIKeyRFLHBWPGMHRRIU-FWJOYPJLSA-N
XLogP2.69
TPSA139.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide (CID 135192066) is 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide is Cc1nnc(-c2ccc3c(c2)N(C)C(=O)C([C@@H](C)NC(=O)c2n[nH]c(CC4CCCC4)n2)CO3)o1.
What is the InChIKey of 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is RFLHBWPGMHRRIU-FWJOYPJLSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-13(25-22(32)21-26-20(28-29-21)10-15-6-4-5-7-15)17-12-34-19-9-8-16(23-30-27-14(2)35-23)11-18(19)31(3)24(17)33/h8-9,11,13,15,17H,4-7,10,12H2,1-3H3,(H,25,32)(H,26,28,29)/t13-,17?/m1/s1.
What are the key properties of 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide?
5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-N-[(1R)-1-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]ethyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 135192066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).