2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H12N6O2 — CID 155564864

IUPAC2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3ccc(C#N)cc3)nn2)no1
InChIInChI=1S/C15H12N6O2/c1-10-6-14(19-23-10)17-15(22)9-21-8-13(18-20-21)12-4-2-11(7-16)3-5-12/h2-6,8H,9H2,1H3,(H,17,19,22)
InChIKeyUMLWBPSZXFWEIA-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.75
Rot. Bonds4

About 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 155564864) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID155564864
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3ccc(C#N)cc3)nn2)no1
InChIInChI=1S/C15H12N6O2/c1-10-6-14(19-23-10)17-15(22)9-21-8-13(18-20-21)12-4-2-11(7-16)3-5-12/h2-6,8H,9H2,1H3,(H,17,19,22)
InChIKeyUMLWBPSZXFWEIA-UHFFFAOYSA-N
XLogP1.75
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 116641828
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
N-[(4-cyanophenyl)methyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 134043287
3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35798753
benzyl 2-[4-(4-cyanophenyl)triazol-1-yl]acetate
CID 102431993
2-[4-(4-methylphenyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 138373950
N-(4-cyanophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108970171
2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95138569
2-[4-(aminomethyl)triazol-1-yl]-N-(2-bromo-4-cyanophenyl)acetamide
CID 115459165
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1005237

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 155564864) is 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc(-c3ccc(C#N)cc3)nn2)no1.
What is the InChIKey of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UMLWBPSZXFWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c1-10-6-14(19-23-10)17-15(22)9-21-8-13(18-20-21)12-4-2-11(7-16)3-5-12/h2-6,8H,9H2,1H3,(H,17,19,22).
What are the key properties of 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 308.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 155564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).