6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one

C19H12ClNO3 — CID 72697738

IUPAC6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
SMILESCc1onc(-c2ccccc2)c1-c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C19H12ClNO3/c1-11-18(19(21-24-11)12-5-3-2-4-6-12)17-10-15(22)14-9-13(20)7-8-16(14)23-17/h2-10H,1H3
InChIKeyDLPZLCYZAHLJRY-UHFFFAOYSA-N
MW337.76 g/mol
LogP5.08
Rot. Bonds2

About 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one

6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one (PubChem CID 72697738) has the molecular formula C19H12ClNO3 and a molecular weight of 337.76 g/mol. Its IUPAC name is 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
PubChem CID72697738
Molecular FormulaC19H12ClNO3
Molecular Weight337.76 g/mol
Exact Mass337.05
IUPAC Name6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
SMILESCc1onc(-c2ccccc2)c1-c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C19H12ClNO3/c1-11-18(19(21-24-11)12-5-3-2-4-6-12)17-10-15(22)14-9-13(20)7-8-16(14)23-17/h2-10H,1H3
InChIKeyDLPZLCYZAHLJRY-UHFFFAOYSA-N
XLogP5.08
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.76
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol
CID 4063261
Phenyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 729253
(4-Butanoylphenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 5051524
4-[4-[[3-(2-Chlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]butanoic acid
CID 156013082
2-(3-Chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505260
4-Acetylphenyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 1016480
4-Ethoxyphenyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 3415046
2,4-Dichlorophenyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 3415047
3-(2,6-Dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole
CID 90767009
Methyl 3-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]benzoate
CID 146302376
3,5-Difluorophenyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate
CID 772737
Phenyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 342555

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
The IUPAC name of 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one (CID 72697738) is 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
The canonical SMILES for 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one is Cc1onc(-c2ccccc2)c1-c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
The InChIKey is DLPZLCYZAHLJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3/c1-11-18(19(21-24-11)12-5-3-2-4-6-12)17-10-15(22)14-9-13(20)7-8-16(14)23-17/h2-10H,1H3.
What are the key properties of 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one has a molecular weight of 337.76 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one is sourced from PubChem (CID 72697738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).