2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole

C9H8ClNO — CID 12793307

IUPAC2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole
SMILESClc1cccc(C2=NCCO2)c1
InChIInChI=1S/C9H8ClNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2
InChIKeyYVFGKLOCLJNMLH-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.12
Rot. Bonds1

About 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole

2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 12793307) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID12793307
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole
SMILESClc1cccc(C2=NCCO2)c1
InChIInChI=1S/C9H8ClNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2
InChIKeyYVFGKLOCLJNMLH-UHFFFAOYSA-N
XLogP2.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole (CID 12793307) is 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole is Clc1cccc(C2=NCCO2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YVFGKLOCLJNMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole?
2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 181.62 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12793307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).