2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

C12H10N4O2 — CID 168523907

IUPAC2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CC#N)cc2)no1
InChIInChI=1S/C12H10N4O2/c1-8-14-12(16-18-8)9-2-4-10(5-3-9)15-11(17)6-7-13/h2-5H,6H2,1H3,(H,15,17)
InChIKeyQHBXQUSPYMKREL-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.90
Rot. Bonds3

About 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 168523907) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID168523907
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CC#N)cc2)no1
InChIInChI=1S/C12H10N4O2/c1-8-14-12(16-18-8)9-2-4-10(5-3-9)15-11(17)6-7-13/h2-5H,6H2,1H3,(H,15,17)
InChIKeyQHBXQUSPYMKREL-UHFFFAOYSA-N
XLogP1.90
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 168521112
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
1-(4-bromophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361356
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
1-(3,4-difluorophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778209
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155489
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778268
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 168523907) is 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)CC#N)cc2)no1.
What is the InChIKey of 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is QHBXQUSPYMKREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-8-14-12(16-18-8)9-2-4-10(5-3-9)15-11(17)6-7-13/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 242.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 168523907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).