1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide

C22H23FN4O2 — CID 164634047

IUPAC1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCc1cc(F)ccc1-n1cc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)nn1
InChIInChI=1S/C22H23FN4O2/c1-16-13-18(23)7-8-21(16)27-14-20(24-25-27)22(28)26(19-10-12-29-15-19)11-9-17-5-3-2-4-6-17/h2-8,13-14,19H,9-12,15H2,1H3/t19-/m0/s1
InChIKeyNVMGVEYVZVOZNR-IBGZPJMESA-N
MW394.45 g/mol
LogP3.19
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide

1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 164634047) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide
PubChem CID164634047
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCc1cc(F)ccc1-n1cc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)nn1
InChIInChI=1S/C22H23FN4O2/c1-16-13-18(23)7-8-21(16)27-14-20(24-25-27)22(28)26(19-10-12-29-15-19)11-9-17-5-3-2-4-6-17/h2-8,13-14,19H,9-12,15H2,1H3/t19-/m0/s1
InChIKeyNVMGVEYVZVOZNR-IBGZPJMESA-N
XLogP3.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-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 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide (CID 164634047) is 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide is Cc1cc(F)ccc1-n1cc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)nn1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is NVMGVEYVZVOZNR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-16-13-18(23)7-8-21(16)27-14-20(24-25-27)22(28)26(19-10-12-29-15-19)11-9-17-5-3-2-4-6-17/h2-8,13-14,19H,9-12,15H2,1H3/t19-/m0/s1.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide?
1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-[(3S)-oxolan-3-yl]-N-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 164634047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).