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

C21H22N2O4S — CID 120546766

IUPAC4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-14-17(23-21(27-14)18-8-5-11-28-18)13-19(24)22-16(9-10-20(25)26)12-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,24)(H,25,26)
InChIKeyJWWQETKPXMSBSA-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.85
Rot. Bonds9

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

4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid (PubChem CID 120546766) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid
PubChem CID120546766
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-14-17(23-21(27-14)18-8-5-11-28-18)13-19(24)22-16(9-10-20(25)26)12-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,24)(H,25,26)
InChIKeyJWWQETKPXMSBSA-UHFFFAOYSA-N
XLogP3.85
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992
(2S,3S)-3-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 119194033
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119616911
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109387966
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31046939
N-[1-(2,4-difluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24666325

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid (CID 120546766) is 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid is Cc1oc(-c2cccs2)nc1CC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid?
The InChIKey is JWWQETKPXMSBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14-17(23-21(27-14)18-8-5-11-28-18)13-19(24)22-16(9-10-20(25)26)12-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid?
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid has a molecular weight of 398.48 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).