5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid

C18H22N2O4 — CID 119235078

IUPAC5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
SMILESCc1ccc(-c2cnc(CCC(=O)NCCCCC(=O)O)o2)cc1
InChIInChI=1S/C18H22N2O4/c1-13-5-7-14(8-6-13)15-12-20-17(24-15)10-9-16(21)19-11-3-2-4-18(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCFTHCONRYNATQF-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.95
Rot. Bonds9

About 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid

5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid (PubChem CID 119235078) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
PubChem CID119235078
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
SMILESCc1ccc(-c2cnc(CCC(=O)NCCCCC(=O)O)o2)cc1
InChIInChI=1S/C18H22N2O4/c1-13-5-7-14(8-6-13)15-12-20-17(24-15)10-9-16(21)19-11-3-2-4-18(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCFTHCONRYNATQF-UHFFFAOYSA-N
XLogP2.95
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418539
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
3-[2-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]ethyldisulfanyl]propanoic acid
CID 166422727

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
The IUPAC name of 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid (CID 119235078) is 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid.
What is the SMILES notation for 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
The canonical SMILES for 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid is Cc1ccc(-c2cnc(CCC(=O)NCCCCC(=O)O)o2)cc1.
What is the InChIKey of 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
The InChIKey is CFTHCONRYNATQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-5-7-14(8-6-13)15-12-20-17(24-15)10-9-16(21)19-11-3-2-4-18(22)23/h5-8,12H,2-4,9-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid has a molecular weight of 330.38 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid is sourced from PubChem (CID 119235078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).