4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole

C15H16ClNO2 — CID 144608523

IUPAC4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole
SMILESClc1cc(OCC2CC2)cc2oc(C3CCC3)nc12
InChIInChI=1S/C15H16ClNO2/c16-12-6-11(18-8-9-4-5-9)7-13-14(12)17-15(19-13)10-2-1-3-10/h6-7,9-10H,1-5,8H2
InChIKeyONUFFNVGBLGUFI-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.54
Rot. Bonds4

About 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole

4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole (PubChem CID 144608523) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole
PubChem CID144608523
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole
SMILESClc1cc(OCC2CC2)cc2oc(C3CCC3)nc12
InChIInChI=1S/C15H16ClNO2/c16-12-6-11(18-8-9-4-5-9)7-13-14(12)17-15(19-13)10-2-1-3-10/h6-7,9-10H,1-5,8H2
InChIKeyONUFFNVGBLGUFI-UHFFFAOYSA-N
XLogP4.54
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole 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-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole?
The IUPAC name of 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole (CID 144608523) is 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole.
What is the SMILES notation for 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole?
The canonical SMILES for 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole is Clc1cc(OCC2CC2)cc2oc(C3CCC3)nc12.
What is the InChIKey of 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole?
The InChIKey is ONUFFNVGBLGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-12-6-11(18-8-9-4-5-9)7-13-14(12)17-15(19-13)10-2-1-3-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole?
4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole has a molecular weight of 277.75 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole is sourced from PubChem (CID 144608523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).