[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate

C17H12ClNO3 — CID 69072680

IUPAC[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
SMILESCC(=O)Oc1oc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H12ClNO3/c1-11(20)21-17-15(12-5-3-2-4-6-12)19-16(22-17)13-7-9-14(18)10-8-13/h2-10H,1H3
InChIKeyJWBOXZLDKIETDC-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.59
Rot. Bonds3

About [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate

[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate (PubChem CID 69072680) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
PubChem CID69072680
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
SMILESCC(=O)Oc1oc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H12ClNO3/c1-11(20)21-17-15(12-5-3-2-4-6-12)19-16(22-17)13-7-9-14(18)10-8-13/h2-10H,1H3
InChIKeyJWBOXZLDKIETDC-UHFFFAOYSA-N
XLogP4.59
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
CID 15446599
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
CID 14269261
[2-phenyl-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-yl] acetate
CID 659050
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
CID 658724
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 173207485
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
CID 10517811
2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139918056
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate?
The IUPAC name of [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate (CID 69072680) is [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate?
The canonical SMILES for [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate is CC(=O)Oc1oc(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate?
The InChIKey is JWBOXZLDKIETDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-11(20)21-17-15(12-5-3-2-4-6-12)19-16(22-17)13-7-9-14(18)10-8-13/h2-10H,1H3.
What are the key properties of [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate?
[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate has a molecular weight of 313.74 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate is sourced from PubChem (CID 69072680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).