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

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Related Compounds

6-Methoxy-2-methylbenzoxazole
CID 90329
6-(1-Fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole
CID 59156411
6-(2-Fluoroethoxy)-2-methyl-1,3-benzoxazole
CID 59156483
6-(3-Chloropropoxy)-2-(trifluoromethyl)-1,3-benzoxazole
CID 69573099
6-(1-Chloropropoxy)-2-(trifluoromethyl)-1,3-benzoxazole
CID 69573100
6-(Cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole
CID 118101249
7-Fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole
CID 122497548
(Z)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-enal
CID 146454315
(E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-enal
CID 146454335
2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
CID 163444143
6-[(2E)-2-(fluoromethylidene)butoxy]-2-pentan-2-yl-1,3-benzoxazole
CID 163444145
2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
CID 163491285

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).