N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

C20H25FN4O2 — CID 42241379

IUPACN-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccc(F)cc2)nn1)N(CC1CCC1)C[C@@H]1CCCO1
InChIInChI=1S/C20H25FN4O2/c21-17-8-6-16(7-9-17)12-25-14-19(22-23-25)20(26)24(11-15-3-1-4-15)13-18-5-2-10-27-18/h6-9,14-15,18H,1-5,10-13H2/t18-/m0/s1
InChIKeyUKRUCCVIUMFEBJ-SFHVURJKSA-N
MW372.44 g/mol
LogP2.89
Rot. Bonds7

About N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 42241379) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID42241379
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccc(F)cc2)nn1)N(CC1CCC1)C[C@@H]1CCCO1
InChIInChI=1S/C20H25FN4O2/c21-17-8-6-16(7-9-17)12-25-14-19(22-23-25)20(26)24(11-15-3-1-4-15)13-18-5-2-10-27-18/h6-9,14-15,18H,1-5,10-13H2/t18-/m0/s1
InChIKeyUKRUCCVIUMFEBJ-SFHVURJKSA-N
XLogP2.89
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 42241379) is N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is O=C(c1cn(Cc2ccc(F)cc2)nn1)N(CC1CCC1)C[C@@H]1CCCO1.
What is the InChIKey of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is UKRUCCVIUMFEBJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-17-8-6-16(7-9-17)12-25-14-19(22-23-25)20(26)24(11-15-3-1-4-15)13-18-5-2-10-27-18/h6-9,14-15,18H,1-5,10-13H2/t18-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 42241379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).