[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone

C20H14N4O3 — CID 139231534

IUPAC[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2cc(C(=O)c3ccccc3)no2)nnn1-c1ccccc1
InChIInChI=1S/C20H14N4O3/c1-13-18(21-23-24(13)15-10-6-3-7-11-15)20(26)17-12-16(22-27-17)19(25)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyVBFJDOYVOYUSKU-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.03
Rot. Bonds5

About [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone

[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone (PubChem CID 139231534) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
PubChem CID139231534
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2cc(C(=O)c3ccccc3)no2)nnn1-c1ccccc1
InChIInChI=1S/C20H14N4O3/c1-13-18(21-23-24(13)15-10-6-3-7-11-15)20(26)17-12-16(22-27-17)19(25)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyVBFJDOYVOYUSKU-UHFFFAOYSA-N
XLogP3.03
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone 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

[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone
CID 139231548
[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
CID 139231528
5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide
CID 71547193
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
4-(4-acetyl-5-methyltriazol-1-yl)benzoic acid
CID 82201518
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952
(3-fluorophenyl)methyl 5-methyl-1-phenyltriazole-4-carboxylate
CID 50742900
5-methyl-1-phenyltriazol-4-ol
CID 15257136
[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone
CID 10338717
1-[3-(1-hydroxy-3-phenylpropan-2-yl)phenyl]-5-methyltriazole-4-carboxylic acid
CID 139215095
4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 139231542

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
The IUPAC name of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone (CID 139231534) is [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
The canonical SMILES for [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone is Cc1c(C(=O)c2cc(C(=O)c3ccccc3)no2)nnn1-c1ccccc1.
What is the InChIKey of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
The InChIKey is VBFJDOYVOYUSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c1-13-18(21-23-24(13)15-10-6-3-7-11-15)20(26)17-12-16(22-27-17)19(25)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone has a molecular weight of 358.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone is sourced from PubChem (CID 139231534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).