4-(cyclobutylmethyl)-5-propyl-1,3-oxazole

C11H17NO — CID 88974502

IUPAC4-(cyclobutylmethyl)-5-propyl-1,3-oxazole
SMILESCCCc1ocnc1CC1CCC1
InChIInChI=1S/C11H17NO/c1-2-4-11-10(12-8-13-11)7-9-5-3-6-9/h8-9H,2-7H2,1H3
InChIKeyJVOFWKGHTOLEHV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.97
Rot. Bonds4

About 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole

4-(cyclobutylmethyl)-5-propyl-1,3-oxazole (PubChem CID 88974502) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-5-propyl-1,3-oxazole
PubChem CID88974502
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(cyclobutylmethyl)-5-propyl-1,3-oxazole
SMILESCCCc1ocnc1CC1CCC1
InChIInChI=1S/C11H17NO/c1-2-4-11-10(12-8-13-11)7-9-5-3-6-9/h8-9H,2-7H2,1H3
InChIKeyJVOFWKGHTOLEHV-UHFFFAOYSA-N
XLogP2.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(cyclobutylmethyl)-5-propyl-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 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole?
The IUPAC name of 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole (CID 88974502) is 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole.
What is the SMILES notation for 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole?
The canonical SMILES for 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole is CCCc1ocnc1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole?
The InChIKey is JVOFWKGHTOLEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-4-11-10(12-8-13-11)7-9-5-3-6-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole?
4-(cyclobutylmethyl)-5-propyl-1,3-oxazole has a molecular weight of 179.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-5-propyl-1,3-oxazole is sourced from PubChem (CID 88974502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).