methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate

C19H24N2O4 — CID 95326951

IUPACmethyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate
SMILESCC[C@@](NC(=O)[C@H](C)c1c(C)noc1C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H24N2O4/c1-6-19(18(23)24-5,15-10-8-7-9-11-15)20-17(22)12(2)16-13(3)21-25-14(16)4/h7-12H,6H2,1-5H3,(H,20,22)/t12-,19+/m1/s1
InChIKeySPTSWYRDTQFAOC-BLVKFPJESA-N
MW344.41 g/mol
LogP2.99
Rot. Bonds6

About methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate

methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate (PubChem CID 95326951) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate
PubChem CID95326951
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate
SMILESCC[C@@](NC(=O)[C@H](C)c1c(C)noc1C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H24N2O4/c1-6-19(18(23)24-5,15-10-8-7-9-11-15)20-17(22)12(2)16-13(3)21-25-14(16)4/h7-12H,6H2,1-5H3,(H,20,22)/t12-,19+/m1/s1
InChIKeySPTSWYRDTQFAOC-BLVKFPJESA-N
XLogP2.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate 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

methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid
CID 97337597
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 75469343
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 75469342
(2S)-N-[(S)-(4-bromophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 52537710
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 51103750
methyl (2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-phenylbutanoate
CID 95308682
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
CID 95618392
3-[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-4-fluorobenzoic acid
CID 97337342
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 79236645
N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide
CID 95977615
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146088445

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate?
The IUPAC name of methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate (CID 95326951) is methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate?
The canonical SMILES for methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate is CC[C@@](NC(=O)[C@H](C)c1c(C)noc1C)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate?
The InChIKey is SPTSWYRDTQFAOC-BLVKFPJESA-N. The full InChI is InChI=1S/C19H24N2O4/c1-6-19(18(23)24-5,15-10-8-7-9-11-15)20-17(22)12(2)16-13(3)21-25-14(16)4/h7-12H,6H2,1-5H3,(H,20,22)/t12-,19+/m1/s1.
What are the key properties of methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate?
methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate has a molecular weight of 344.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate is sourced from PubChem (CID 95326951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).