5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide

C23H29N7O3 — CID 129279497

IUPAC5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nnc(-c2cc3c(cc2C)OCC(NC(=O)c2n[nH]c(CC4CCCC4)n2)CN3C)o1
InChIInChI=1S/C23H29N7O3/c1-13-8-19-18(10-17(13)23-29-26-14(2)33-23)30(3)11-16(12-32-19)24-22(31)21-25-20(27-28-21)9-15-6-4-5-7-15/h8,10,15-16H,4-7,9,11-12H2,1-3H3,(H,24,31)(H,25,27,28)
InChIKeySSAHDNXJYJCEDW-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.83
Rot. Bonds5

About 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide

5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 129279497) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID129279497
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nnc(-c2cc3c(cc2C)OCC(NC(=O)c2n[nH]c(CC4CCCC4)n2)CN3C)o1
InChIInChI=1S/C23H29N7O3/c1-13-8-19-18(10-17(13)23-29-26-14(2)33-23)30(3)11-16(12-32-19)24-22(31)21-25-20(27-28-21)9-15-6-4-5-7-15/h8,10,15-16H,4-7,9,11-12H2,1-3H3,(H,24,31)(H,25,27,28)
InChIKeySSAHDNXJYJCEDW-UHFFFAOYSA-N
XLogP2.83
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-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-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide (CID 129279497) is 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide is Cc1nnc(-c2cc3c(cc2C)OCC(NC(=O)c2n[nH]c(CC4CCCC4)n2)CN3C)o1.
What is the InChIKey of 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is SSAHDNXJYJCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-13-8-19-18(10-17(13)23-29-26-14(2)33-23)30(3)11-16(12-32-19)24-22(31)21-25-20(27-28-21)9-15-6-4-5-7-15/h8,10,15-16H,4-7,9,11-12H2,1-3H3,(H,24,31)(H,25,27,28).
What are the key properties of 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-N-[5,8-dimethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129279497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).