1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine

C9H13ClN2O — CID 84776008

IUPAC1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine
SMILESCC(C)c1nc(C2(N)CC2)c(Cl)o1
InChIInChI=1S/C9H13ClN2O/c1-5(2)8-12-6(7(10)13-8)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyOCDPPJVNNJUOQY-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.40
Rot. Bonds2

About 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine

1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine (PubChem CID 84776008) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine
PubChem CID84776008
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine
SMILESCC(C)c1nc(C2(N)CC2)c(Cl)o1
InChIInChI=1S/C9H13ClN2O/c1-5(2)8-12-6(7(10)13-8)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyOCDPPJVNNJUOQY-UHFFFAOYSA-N
XLogP2.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine (CID 84776008) is 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine is CC(C)c1nc(C2(N)CC2)c(Cl)o1.
What is the InChIKey of 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The InChIKey is OCDPPJVNNJUOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-5(2)8-12-6(7(10)13-8)9(11)3-4-9/h5H,3-4,11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine has a molecular weight of 200.67 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84776008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).