1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine

C9H12N2O — CID 82414903

IUPAC1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine
SMILESCc1nc(C2(N)CC=CC2)co1
InChIInChI=1S/C9H12N2O/c1-7-11-8(6-12-7)9(10)4-2-3-5-9/h2-3,6H,4-5,10H2,1H3
InChIKeyFVSMFQOIGDENSC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.49
Rot. Bonds1

About 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine

1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine (PubChem CID 82414903) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine
PubChem CID82414903
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine
SMILESCc1nc(C2(N)CC=CC2)co1
InChIInChI=1S/C9H12N2O/c1-7-11-8(6-12-7)9(10)4-2-3-5-9/h2-3,6H,4-5,10H2,1H3
InChIKeyFVSMFQOIGDENSC-UHFFFAOYSA-N
XLogP1.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine?
The IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine (CID 82414903) is 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine.
What is the SMILES notation for 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine?
The canonical SMILES for 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine is Cc1nc(C2(N)CC=CC2)co1.
What is the InChIKey of 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine?
The InChIKey is FVSMFQOIGDENSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-11-8(6-12-7)9(10)4-2-3-5-9/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine?
1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine has a molecular weight of 164.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-oxazol-4-yl)cyclopent-3-en-1-amine is sourced from PubChem (CID 82414903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).