2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid

C20H20N2O4S — CID 119201879

IUPAC2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)Cc1nc(-c2ccsc2)oc1C)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-3-20(19(24)25,15-7-5-4-6-8-15)22-17(23)11-16-13(2)26-18(21-16)14-9-10-27-12-14/h4-10,12H,3,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySWNWMPLAMSMXPU-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.76
Rot. Bonds7

About 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid

2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid (PubChem CID 119201879) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
PubChem CID119201879
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)Cc1nc(-c2ccsc2)oc1C)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-3-20(19(24)25,15-7-5-4-6-8-15)22-17(23)11-16-13(2)26-18(21-16)14-9-10-27-12-14/h4-10,12H,3,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySWNWMPLAMSMXPU-UHFFFAOYSA-N
XLogP3.76
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119598840
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95272119
N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119666734
N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 166298149
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535706
benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid (CID 119201879) is 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid is CCC(NC(=O)Cc1nc(-c2ccsc2)oc1C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid?
The InChIKey is SWNWMPLAMSMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-3-20(19(24)25,15-7-5-4-6-8-15)22-17(23)11-16-13(2)26-18(21-16)14-9-10-27-12-14/h4-10,12H,3,11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid?
2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid has a molecular weight of 384.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119201879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).