N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide

C17H21FN4O2 — CID 94489794

IUPACN-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O2/c1-3-21(11-15-5-4-10-24-15)17(23)16-19-12(2)22(20-16)14-8-6-13(18)7-9-14/h6-9,15H,3-5,10-11H2,1-2H3/t15-/m1/s1
InChIKeyKMUJYRDCNDYKFI-OAHLLOKOSA-N
MW332.38 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide

N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 94489794) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID94489794
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O2/c1-3-21(11-15-5-4-10-24-15)17(23)16-19-12(2)22(20-16)14-8-6-13(18)7-9-14/h6-9,15H,3-5,10-11H2,1-2H3/t15-/m1/s1
InChIKeyKMUJYRDCNDYKFI-OAHLLOKOSA-N
XLogP2.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 71940416
5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide
CID 166252472
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
1-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 75405036
N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 61435608
1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 94031179
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 24509742
N-[[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)pyrazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 93135643

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide (CID 94489794) is N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide is CCN(C[C@H]1CCCO1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KMUJYRDCNDYKFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-3-21(11-15-5-4-10-24-15)17(23)16-19-12(2)22(20-16)14-8-6-13(18)7-9-14/h6-9,15H,3-5,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 94489794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).