N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide

C12H13N3O2 — CID 110677412

IUPACN-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide
SMILESCc1noc(CC(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-9-13-11(17-14-9)8-12(16)15(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyYLWBENLYCIZTMK-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.58
Rot. Bonds3

About N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide

N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide (PubChem CID 110677412) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide
PubChem CID110677412
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide
SMILESCc1noc(CC(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-9-13-11(17-14-9)8-12(16)15(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyYLWBENLYCIZTMK-UHFFFAOYSA-N
XLogP1.58
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]benzoic acid
CID 104698150
N-[3-(N-methylanilino)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86990282
N-methyl-2-(4-methyl-1,3-oxazol-5-yl)-N-phenylacetamide
CID 110679883
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
CID 110773536
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylacetamide
CID 16878802
N-methyl-N-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43065538
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide (CID 110677412) is N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide is Cc1noc(CC(=O)N(C)c2ccccc2)n1.
What is the InChIKey of N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide?
The InChIKey is YLWBENLYCIZTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-13-11(17-14-9)8-12(16)15(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide?
N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide has a molecular weight of 231.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide is sourced from PubChem (CID 110677412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).