N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide

C20H25FN4O3 — CID 66670106

IUPACN-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(c1ncn[nH]1)N(Cc1ccc(F)c(OC2CCCC2)c1)C1CCOCC1
InChIInChI=1S/C20H25FN4O3/c21-17-6-5-14(11-18(17)28-16-3-1-2-4-16)12-25(15-7-9-27-10-8-15)20(26)19-22-13-23-24-19/h5-6,11,13,15-16H,1-4,7-10,12H2,(H,22,23,24)
InChIKeyJXJJCHXXNSWYCC-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.09
Rot. Bonds6

About N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 66670106) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID66670106
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(c1ncn[nH]1)N(Cc1ccc(F)c(OC2CCCC2)c1)C1CCOCC1
InChIInChI=1S/C20H25FN4O3/c21-17-6-5-14(11-18(17)28-16-3-1-2-4-16)12-25(15-7-9-27-10-8-15)20(26)19-22-13-23-24-19/h5-6,11,13,15-16H,1-4,7-10,12H2,(H,22,23,24)
InChIKeyJXJJCHXXNSWYCC-UHFFFAOYSA-N
XLogP3.09
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 66670106) is N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(c1ncn[nH]1)N(Cc1ccc(F)c(OC2CCCC2)c1)C1CCOCC1.
What is the InChIKey of N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JXJJCHXXNSWYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c21-17-6-5-14(11-18(17)28-16-3-1-2-4-16)12-25(15-7-9-27-10-8-15)20(26)19-22-13-23-24-19/h5-6,11,13,15-16H,1-4,7-10,12H2,(H,22,23,24).
What are the key properties of N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-N-(oxan-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 66670106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).