3-(2-chlorophenyl)-1,3-oxazol-2-one

C9H6ClNO2 — CID 141380770

IUPAC3-(2-chlorophenyl)-1,3-oxazol-2-one
SMILESO=c1occn1-c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-3-1-2-4-8(7)11-5-6-13-9(11)12/h1-6H
InChIKeyCCRHONRGDJORHL-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.08
Rot. Bonds1

About 3-(2-chlorophenyl)-1,3-oxazol-2-one

3-(2-chlorophenyl)-1,3-oxazol-2-one (PubChem CID 141380770) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,3-oxazol-2-one
PubChem CID141380770
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-(2-chlorophenyl)-1,3-oxazol-2-one
SMILESO=c1occn1-c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-3-1-2-4-8(7)11-5-6-13-9(11)12/h1-6H
InChIKeyCCRHONRGDJORHL-UHFFFAOYSA-N
XLogP2.08
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[2-(3-chlorophenyl)-1,5-dihydropyrazol-5-yl]oxymethyl]phenyl]-1,3-oxazol-2-one
CID 141300271
5-amino-1-(2-chlorophenyl)-2-methylpyridin-4-one
CID 82467411
2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine
CID 141342601
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 4135812
1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione
CID 14641692
2,7-dichlorocyclohepta-2,4,6-trien-1-one
CID 101073282
1-(2-chlorophenyl)indole-3-carbaldehyde
CID 87889462
1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine
CID 170894877
4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
CID 114603238
4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one
CID 110170526
1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one
CID 19837629
1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 82362681

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,3-oxazol-2-one?
The IUPAC name of 3-(2-chlorophenyl)-1,3-oxazol-2-one (CID 141380770) is 3-(2-chlorophenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1,3-oxazol-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-1,3-oxazol-2-one is O=c1occn1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1,3-oxazol-2-one?
The InChIKey is CCRHONRGDJORHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-3-1-2-4-8(7)11-5-6-13-9(11)12/h1-6H.
What are the key properties of 3-(2-chlorophenyl)-1,3-oxazol-2-one?
3-(2-chlorophenyl)-1,3-oxazol-2-one has a molecular weight of 195.61 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 141380770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).