(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide

C17H22N2O3 — CID 95977617

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCC[C@H](C(=O)NCc1cccc(OC)c1)c1c(C)noc1C
InChIInChI=1S/C17H22N2O3/c1-5-15(16-11(2)19-22-12(16)3)17(20)18-10-13-7-6-8-14(9-13)21-4/h6-9,15H,5,10H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyJFQJYOYSYDFDAU-HNNXBMFYSA-N
MW302.37 g/mol
LogP3.11
Rot. Bonds6

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 95977617) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID95977617
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCC[C@H](C(=O)NCc1cccc(OC)c1)c1c(C)noc1C
InChIInChI=1S/C17H22N2O3/c1-5-15(16-11(2)19-22-12(16)3)17(20)18-10-13-7-6-8-14(9-13)21-4/h6-9,15H,5,10H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyJFQJYOYSYDFDAU-HNNXBMFYSA-N
XLogP3.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide 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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile
CID 82141132
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide
CID 52510455
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide (CID 95977617) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide is CC[C@H](C(=O)NCc1cccc(OC)c1)c1c(C)noc1C.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is JFQJYOYSYDFDAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-15(16-11(2)19-22-12(16)3)17(20)18-10-13-7-6-8-14(9-13)21-4/h6-9,15H,5,10H2,1-4H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide has a molecular weight of 302.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 95977617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).