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

C20H14N4O3 — CID 139231528

IUPAC[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2conc2C(=O)c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C20H14N4O3/c1-13-17(21-23-24(13)15-10-6-3-7-11-15)20(26)16-12-27-22-18(16)19(25)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyJXNSDNOIZGDSCV-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.03
Rot. Bonds5

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

[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone (PubChem CID 139231528) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
PubChem CID139231528
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2conc2C(=O)c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C20H14N4O3/c1-13-17(21-23-24(13)15-10-6-3-7-11-15)20(26)16-12-27-22-18(16)19(25)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyJXNSDNOIZGDSCV-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

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Related Compounds

[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
CID 139231534
[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone
CID 139231548
4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 139231542
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
4-(4-acetyl-5-methyltriazol-1-yl)benzoic acid
CID 82201518
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
5-methyl-1-phenyltriazol-4-ol
CID 15257136
[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone
CID 10338717
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
(4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone
CID 1489081

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
The IUPAC name of [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone (CID 139231528) is [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
The canonical SMILES for [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone is Cc1c(C(=O)c2conc2C(=O)c2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
The InChIKey is JXNSDNOIZGDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c1-13-17(21-23-24(13)15-10-6-3-7-11-15)20(26)16-12-27-22-18(16)19(25)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone?
[4-(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 [4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone is sourced from PubChem (CID 139231528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).