3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H18FN5O2 — CID 19493458

IUPAC3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1Cn1cnc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1
InChIInChI=1S/C20H18FN5O2/c1-13-4-2-3-5-15(13)11-26-12-22-20(24-26)23-19(27)18-10-17(25-28-18)14-6-8-16(21)9-7-14/h2-9,12,18H,10-11H2,1H3,(H,23,24,27)
InChIKeyKOUSMBIDJRPRJG-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493458) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493458
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1Cn1cnc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1
InChIInChI=1S/C20H18FN5O2/c1-13-4-2-3-5-15(13)11-26-12-22-20(24-26)23-19(27)18-10-17(25-28-18)14-6-8-16(21)9-7-14/h2-9,12,18H,10-11H2,1H3,(H,23,24,27)
InChIKeyKOUSMBIDJRPRJG-UHFFFAOYSA-N
XLogP2.91
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-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 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493458) is 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1Cn1cnc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KOUSMBIDJRPRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13-4-2-3-5-15(13)11-26-12-22-20(24-26)23-19(27)18-10-17(25-28-18)14-6-8-16(21)9-7-14/h2-9,12,18H,10-11H2,1H3,(H,23,24,27).
What are the key properties of 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).