1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide

C17H20N4O2 — CID 42288627

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cn(C[C@H]2CCCO2)nn1
InChIInChI=1S/C17H20N4O2/c22-16(18-17(8-9-17)13-5-2-1-3-6-13)15-12-21(20-19-15)11-14-7-4-10-23-14/h1-3,5-6,12,14H,4,7-11H2,(H,18,22)/t14-/m1/s1
InChIKeyYEINKUVBYHWGRH-CQSZACIVSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds5

About 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide

1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide (PubChem CID 42288627) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide
PubChem CID42288627
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cn(C[C@H]2CCCO2)nn1
InChIInChI=1S/C17H20N4O2/c22-16(18-17(8-9-17)13-5-2-1-3-6-13)15-12-21(20-19-15)11-14-7-4-10-23-14/h1-3,5-6,12,14H,4,7-11H2,(H,18,22)/t14-/m1/s1
InChIKeyYEINKUVBYHWGRH-CQSZACIVSA-N
XLogP1.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45236383
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45207828
N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 42101548
1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
CID 110676481
[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 45215826
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]triazol-4-yl]methanone
CID 42099259
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56902904
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide (CID 42288627) is 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide is O=C(NC1(c2ccccc2)CC1)c1cn(C[C@H]2CCCO2)nn1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide?
The InChIKey is YEINKUVBYHWGRH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(18-17(8-9-17)13-5-2-1-3-6-13)15-12-21(20-19-15)11-14-7-4-10-23-14/h1-3,5-6,12,14H,4,7-11H2,(H,18,22)/t14-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide?
1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide is sourced from PubChem (CID 42288627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).