5-chloro-3-cyclopentyl-1,2-oxazole

C8H10ClNO — CID 80645479

IUPAC5-chloro-3-cyclopentyl-1,2-oxazole
SMILESClc1cc(C2CCCC2)no1
InChIInChI=1S/C8H10ClNO/c9-8-5-7(10-11-8)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyAXLNHJPOGWAEDQ-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.99
Rot. Bonds1

About 5-chloro-3-cyclopentyl-1,2-oxazole

5-chloro-3-cyclopentyl-1,2-oxazole (PubChem CID 80645479) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-chloro-3-cyclopentyl-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-cyclopentyl-1,2-oxazole
PubChem CID80645479
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name5-chloro-3-cyclopentyl-1,2-oxazole
SMILESClc1cc(C2CCCC2)no1
InChIInChI=1S/C8H10ClNO/c9-8-5-7(10-11-8)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyAXLNHJPOGWAEDQ-UHFFFAOYSA-N
XLogP2.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopentyl-1,2-oxazole?
The IUPAC name of 5-chloro-3-cyclopentyl-1,2-oxazole (CID 80645479) is 5-chloro-3-cyclopentyl-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-cyclopentyl-1,2-oxazole?
The canonical SMILES for 5-chloro-3-cyclopentyl-1,2-oxazole is Clc1cc(C2CCCC2)no1.
What is the InChIKey of 5-chloro-3-cyclopentyl-1,2-oxazole?
The InChIKey is AXLNHJPOGWAEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-8-5-7(10-11-8)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 5-chloro-3-cyclopentyl-1,2-oxazole?
5-chloro-3-cyclopentyl-1,2-oxazole has a molecular weight of 171.63 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopentyl-1,2-oxazole is sourced from PubChem (CID 80645479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).