2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid

C13H14N2O3 — CID 113377258

IUPAC2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid
SMILESCCC(Nc1nc(C(=O)O)co1)c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-2-10(9-6-4-3-5-7-9)14-13-15-11(8-18-13)12(16)17/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyWWCSYANRYIGSND-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.94
Rot. Bonds5

About 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid

2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid (PubChem CID 113377258) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid
PubChem CID113377258
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid
SMILESCCC(Nc1nc(C(=O)O)co1)c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-2-10(9-6-4-3-5-7-9)14-13-15-11(8-18-13)12(16)17/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyWWCSYANRYIGSND-UHFFFAOYSA-N
XLogP2.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pent-1-yn-3-ylamino)-1,3-oxazole-4-carboxylic acid
CID 106230962
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 162036780
5-methyl-2-(1-phenylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 113307049
5-amino-6-(1-phenylpropylamino)pyridine-2-carboxamide
CID 114406353
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 62305582
3-amino-2-(1-phenylpropylamino)benzoic acid
CID 115934821
4-(1-phenylpropylamino)phenol
CID 43742837
3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylic acid
CID 79402765
1-[4-(1-phenylpropylamino)phenyl]ethanone
CID 114468209
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid (CID 113377258) is 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid is CCC(Nc1nc(C(=O)O)co1)c1ccccc1.
What is the InChIKey of 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is WWCSYANRYIGSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-10(9-6-4-3-5-7-9)14-13-15-11(8-18-13)12(16)17/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid?
2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113377258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).