7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole

C15H11ClN2O — CID 71544320

IUPAC7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole
SMILESClc1ccncc1-c1cccc2c(C3CC3)noc12
InChIInChI=1S/C15H11ClN2O/c16-13-6-7-17-8-12(13)10-2-1-3-11-14(9-4-5-9)18-19-15(10)11/h1-3,6-9H,4-5H2
InChIKeyAJEBYUYHGWMWMZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.42
Rot. Bonds2

About 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole

7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole (PubChem CID 71544320) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole
PubChem CID71544320
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole
SMILESClc1ccncc1-c1cccc2c(C3CC3)noc12
InChIInChI=1S/C15H11ClN2O/c16-13-6-7-17-8-12(13)10-2-1-3-11-14(9-4-5-9)18-19-15(10)11/h1-3,6-9H,4-5H2
InChIKeyAJEBYUYHGWMWMZ-UHFFFAOYSA-N
XLogP4.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole?
The IUPAC name of 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole (CID 71544320) is 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole.
What is the SMILES notation for 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole?
The canonical SMILES for 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole is Clc1ccncc1-c1cccc2c(C3CC3)noc12.
What is the InChIKey of 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole?
The InChIKey is AJEBYUYHGWMWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-6-7-17-8-12(13)10-2-1-3-11-14(9-4-5-9)18-19-15(10)11/h1-3,6-9H,4-5H2.
What are the key properties of 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole?
7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole has a molecular weight of 270.72 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole is sourced from PubChem (CID 71544320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).