4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid

C14H18N2O4 — CID 79209013

IUPAC4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1noc(C)c1CCC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-8-12(9(2)20-16-8)5-6-13(17)15-11-4-3-10(7-11)14(18)19/h3-4,10-11H,5-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYCXJRXRBXSJFKZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.37
Rot. Bonds5

About 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid

4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209013) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209013
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1noc(C)c1CCC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-8-12(9(2)20-16-8)5-6-13(17)15-11-4-3-10(7-11)14(18)19/h3-4,10-11H,5-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYCXJRXRBXSJFKZ-UHFFFAOYSA-N
XLogP1.37
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79210213
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209434
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877466
N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 119610269
4-[3-(3,4-difluorophenyl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192378
3-cyclopropyl-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 81361737

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79209013) is 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid is Cc1noc(C)c1CCC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is YCXJRXRBXSJFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-12(9(2)20-16-8)5-6-13(17)15-11-4-3-10(7-11)14(18)19/h3-4,10-11H,5-7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).