4-chloro-5-cyclopropyl-1,2-oxazol-3-amine

C6H7ClN2O — CID 79555443

IUPAC4-chloro-5-cyclopropyl-1,2-oxazol-3-amine
SMILESNc1noc(C2CC2)c1Cl
InChIInChI=1S/C6H7ClN2O/c7-4-5(3-1-2-3)10-9-6(4)8/h3H,1-2H2,(H2,8,9)
InChIKeySTNAPDKTPVAVJO-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.79
Rot. Bonds1

About 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine

4-chloro-5-cyclopropyl-1,2-oxazol-3-amine (PubChem CID 79555443) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-1,2-oxazol-3-amine
PubChem CID79555443
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name4-chloro-5-cyclopropyl-1,2-oxazol-3-amine
SMILESNc1noc(C2CC2)c1Cl
InChIInChI=1S/C6H7ClN2O/c7-4-5(3-1-2-3)10-9-6(4)8/h3H,1-2H2,(H2,8,9)
InChIKeySTNAPDKTPVAVJO-UHFFFAOYSA-N
XLogP1.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine (CID 79555443) is 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine is Nc1noc(C2CC2)c1Cl.
What is the InChIKey of 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine?
The InChIKey is STNAPDKTPVAVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-4-5(3-1-2-3)10-9-6(4)8/h3H,1-2H2,(H2,8,9).
What are the key properties of 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine?
4-chloro-5-cyclopropyl-1,2-oxazol-3-amine has a molecular weight of 158.59 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79555443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).