4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole

C13H18ClNO — CID 139345619

IUPAC4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
SMILESClCc1c(C2CCCCC2)noc1C1CC1
InChIInChI=1S/C13H18ClNO/c14-8-11-12(9-4-2-1-3-5-9)15-16-13(11)10-6-7-10/h9-10H,1-8H2
InChIKeyBSAQYDMULHQMFV-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.34
Rot. Bonds3

About 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole

4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole (PubChem CID 139345619) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
PubChem CID139345619
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
SMILESClCc1c(C2CCCCC2)noc1C1CC1
InChIInChI=1S/C13H18ClNO/c14-8-11-12(9-4-2-1-3-5-9)15-16-13(11)10-6-7-10/h9-10H,1-8H2
InChIKeyBSAQYDMULHQMFV-UHFFFAOYSA-N
XLogP4.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(chloromethyl)-5-cyclopropyl-3-(oxan-4-yl)-1,2-oxazole
CID 134284389
4-(chloromethyl)-5-cyclopropyl-3-spiro[2.51]tetrapentacontan-54-yl-1,2-oxazole
CID 88542405
5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 165475526
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole
CID 63353946
5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole
CID 55190867
4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole
CID 121212728
4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde
CID 83909881
3-cyclohexyl-5-ethyl-4-methyl-1,2-oxazole
CID 142203240
3,4-dicyclohexyl-1,2-oxazol-5-amine
CID 101405411
2-(5-cyclopentyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 105462752
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole (CID 139345619) is 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole is ClCc1c(C2CCCCC2)noc1C1CC1.
What is the InChIKey of 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole?
The InChIKey is BSAQYDMULHQMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-8-11-12(9-4-2-1-3-5-9)15-16-13(11)10-6-7-10/h9-10H,1-8H2.
What are the key properties of 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole?
4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole has a molecular weight of 239.75 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 139345619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).