5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid

C17H14N2O4S — CID 142773844

IUPAC5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccsc2)c1C(=O)O
InChIInChI=1S/C17H14N2O4S/c20-13(7-6-11-4-2-1-3-5-11)18-16-14(17(21)22)15(19-23-16)12-8-9-24-10-12/h1-5,8-10H,6-7H2,(H,18,20)(H,21,22)
InChIKeyLLZUGJZOITVRHV-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.67
Rot. Bonds6

About 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid

5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142773844) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142773844
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccsc2)c1C(=O)O
InChIInChI=1S/C17H14N2O4S/c20-13(7-6-11-4-2-1-3-5-11)18-16-14(17(21)22)15(19-23-16)12-8-9-24-10-12/h1-5,8-10H,6-7H2,(H,18,20)(H,21,22)
InChIKeyLLZUGJZOITVRHV-UHFFFAOYSA-N
XLogP3.67
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773903
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831
5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 91811880
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 69009789
N-[3-[5-(aminomethyl)-2-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174568894
3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143269
N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174583821
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
4-(4-chlorophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
CID 23992898
N-[3-(4-fluorophenyl)-4-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544118

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid (CID 142773844) is 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid is O=C(CCc1ccccc1)Nc1onc(-c2ccsc2)c1C(=O)O.
What is the InChIKey of 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is LLZUGJZOITVRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-13(7-6-11-4-2-1-3-5-11)18-16-14(17(21)22)15(19-23-16)12-8-9-24-10-12/h1-5,8-10H,6-7H2,(H,18,20)(H,21,22).
What are the key properties of 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 342.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).