5-chloro-2-(oxan-4-yl)-1,3-oxazole

C8H10ClNO2 — CID 117258845

IUPAC5-chloro-2-(oxan-4-yl)-1,3-oxazole
SMILESClc1cnc(C2CCOCC2)o1
InChIInChI=1S/C8H10ClNO2/c9-7-5-10-8(12-7)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKeyHENNHLRDSFIGEC-UHFFFAOYSA-N
MW187.63 g/mol
LogP2.22
Rot. Bonds1

About 5-chloro-2-(oxan-4-yl)-1,3-oxazole

5-chloro-2-(oxan-4-yl)-1,3-oxazole (PubChem CID 117258845) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-chloro-2-(oxan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(oxan-4-yl)-1,3-oxazole
PubChem CID117258845
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name5-chloro-2-(oxan-4-yl)-1,3-oxazole
SMILESClc1cnc(C2CCOCC2)o1
InChIInChI=1S/C8H10ClNO2/c9-7-5-10-8(12-7)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKeyHENNHLRDSFIGEC-UHFFFAOYSA-N
XLogP2.22
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxan-4-yl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(oxan-4-yl)-1,3-oxazole (CID 117258845) is 5-chloro-2-(oxan-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(oxan-4-yl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(oxan-4-yl)-1,3-oxazole is Clc1cnc(C2CCOCC2)o1.
What is the InChIKey of 5-chloro-2-(oxan-4-yl)-1,3-oxazole?
The InChIKey is HENNHLRDSFIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c9-7-5-10-8(12-7)6-1-3-11-4-2-6/h5-6H,1-4H2.
What are the key properties of 5-chloro-2-(oxan-4-yl)-1,3-oxazole?
5-chloro-2-(oxan-4-yl)-1,3-oxazole has a molecular weight of 187.63 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxan-4-yl)-1,3-oxazole is sourced from PubChem (CID 117258845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).