2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole

C16H12ClNO3S — CID 49294999

IUPAC2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
SMILESO=S(=O)(Cc1ncc(-c2ccccc2)o1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNO3S/c17-13-8-4-5-9-15(13)22(19,20)11-16-18-10-14(21-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyLBSSESYLUVWZGI-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.97
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole

2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole (PubChem CID 49294999) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
PubChem CID49294999
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Name2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
SMILESO=S(=O)(Cc1ncc(-c2ccccc2)o1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNO3S/c17-13-8-4-5-9-15(13)22(19,20)11-16-18-10-14(21-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyLBSSESYLUVWZGI-UHFFFAOYSA-N
XLogP3.97
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
CID 75512661
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24592654
2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
CID 12639620
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 8748084
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 51228013
5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole
CID 56823231
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 8966508
(5-phenyl-1,3-oxazol-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 30443655
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole (CID 49294999) is 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole is O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
The InChIKey is LBSSESYLUVWZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c17-13-8-4-5-9-15(13)22(19,20)11-16-18-10-14(21-16)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole has a molecular weight of 333.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 49294999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).