5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one

C10H8ClNO2 — CID 105463637

IUPAC5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one
SMILESCc1[nH]c(=O)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO2/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13)
InChIKeyYCXYJLVBBHRFBL-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.60
Rot. Bonds1

About 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one

5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one (PubChem CID 105463637) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one
PubChem CID105463637
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one
SMILESCc1[nH]c(=O)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO2/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13)
InChIKeyYCXYJLVBBHRFBL-UHFFFAOYSA-N
XLogP2.60
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)-3,4-dihydro-2H-1,3-oxazine-2,4-dione
CID 2806056
4-Chlorobenzyl carbamate
CID 13433129
2(3H)-Oxazolone, 4-methyl-5-phenyl-
CID 12306999
5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 54265198
[1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate
CID 140840587
(4-chlorophenyl)methyl N-(1,2,2-trichloroethenyl)carbamate
CID 85890259
[(1R)-1-(4-chlorophenyl)prop-2-enyl] N-propylcarbamate
CID 138973291
4-tert-butylperoxy-5-(4-chlorophenyl)-3H-1,3-oxazol-2-one
CID 178251857
5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one
CID 105446696
5-(4-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one
CID 105446697
5-(2-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one
CID 105446698
2(3H)-Oxazolone, 5-(4-chlorophenyl)-
CID 12306997

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one (CID 105463637) is 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one is Cc1[nH]c(=O)oc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
The InChIKey is YCXYJLVBBHRFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one has a molecular weight of 209.63 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105463637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).