(2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide

C15H19N3O3 — CID 126433637

IUPAC(2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide
SMILESCc1nnc(CNC(=O)[C@@H](Oc2ccccc2)C(C)C)o1
InChIInChI=1S/C15H19N3O3/c1-10(2)14(21-12-7-5-4-6-8-12)15(19)16-9-13-18-17-11(3)20-13/h4-8,10,14H,9H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyVHPJAYDFHNAGEU-AWEZNQCLSA-N
MW289.34 g/mol
LogP2.10
Rot. Bonds6

About (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide

(2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide (PubChem CID 126433637) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide
PubChem CID126433637
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide
SMILESCc1nnc(CNC(=O)[C@@H](Oc2ccccc2)C(C)C)o1
InChIInChI=1S/C15H19N3O3/c1-10(2)14(21-12-7-5-4-6-8-12)15(19)16-9-13-18-17-11(3)20-13/h4-8,10,14H,9H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyVHPJAYDFHNAGEU-AWEZNQCLSA-N
XLogP2.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide 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

2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 70795304
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
CID 82042687
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 107914968
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 75357594
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-phenoxyphenyl)propanamide
CID 110333704
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide?
The IUPAC name of (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide (CID 126433637) is (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide.
What is the SMILES notation for (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide?
The canonical SMILES for (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide is Cc1nnc(CNC(=O)[C@@H](Oc2ccccc2)C(C)C)o1.
What is the InChIKey of (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide?
The InChIKey is VHPJAYDFHNAGEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)14(21-12-7-5-4-6-8-12)15(19)16-9-13-18-17-11(3)20-13/h4-8,10,14H,9H2,1-3H3,(H,16,19)/t14-/m0/s1.
What are the key properties of (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide?
(2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide has a molecular weight of 289.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenoxybutanamide is sourced from PubChem (CID 126433637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).