(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C18H25N3O3 — CID 35787670

IUPAC(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](N[C@H](C)c1cc(C)ccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H25N3O3/c1-6-15(18(22)20-17-10-12(3)24-21-17)19-13(4)14-9-11(2)7-8-16(14)23-5/h7-10,13,15,19H,6H2,1-5H3,(H,20,21,22)/t13-,15+/m1/s1
InChIKeyXWKFJEHBUIEZHW-HIFRSBDPSA-N
MW331.42 g/mol
LogP3.37
Rot. Bonds7

About (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 35787670) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID35787670
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](N[C@H](C)c1cc(C)ccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H25N3O3/c1-6-15(18(22)20-17-10-12(3)24-21-17)19-13(4)14-9-11(2)7-8-16(14)23-5/h7-10,13,15,19H,6H2,1-5H3,(H,20,21,22)/t13-,15+/m1/s1
InChIKeyXWKFJEHBUIEZHW-HIFRSBDPSA-N
XLogP3.37
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)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

(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 30237362
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94180754
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 35787670) is (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@H](N[C@H](C)c1cc(C)ccc1OC)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is XWKFJEHBUIEZHW-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-6-15(18(22)20-17-10-12(3)24-21-17)19-13(4)14-9-11(2)7-8-16(14)23-5/h7-10,13,15,19H,6H2,1-5H3,(H,20,21,22)/t13-,15+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 35787670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).