5-cyclopropyl-2-propan-2-yl-1,3-oxazole

C9H13NO — CID 135061563

IUPAC5-cyclopropyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(C2CC2)o1
InChIInChI=1S/C9H13NO/c1-6(2)9-10-5-8(11-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyFBBGMVMXOZKMFC-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.68
Rot. Bonds2

About 5-cyclopropyl-2-propan-2-yl-1,3-oxazole

5-cyclopropyl-2-propan-2-yl-1,3-oxazole (PubChem CID 135061563) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-cyclopropyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-2-propan-2-yl-1,3-oxazole
PubChem CID135061563
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-cyclopropyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(C2CC2)o1
InChIInChI=1S/C9H13NO/c1-6(2)9-10-5-8(11-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyFBBGMVMXOZKMFC-UHFFFAOYSA-N
XLogP2.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-2-propan-2-yl-1,3-oxazole 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 5-cyclopropyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-cyclopropyl-2-propan-2-yl-1,3-oxazole (CID 135061563) is 5-cyclopropyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-cyclopropyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-cyclopropyl-2-propan-2-yl-1,3-oxazole is CC(C)c1ncc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is FBBGMVMXOZKMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(2)9-10-5-8(11-9)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-propan-2-yl-1,3-oxazole?
5-cyclopropyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 135061563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).