4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole

C17H14ClNO2S — CID 97313225

IUPAC4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1C[S@](=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2S/c1-12-16(11-22(20)15-9-5-8-14(18)10-15)19-17(21-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3/t22-/m0/s1
InChIKeySSJDUDVONKSOSN-QFIPXVFZSA-N
MW331.82 g/mol
LogP4.61
Rot. Bonds4

About 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole

4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 97313225) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID97313225
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1C[S@](=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2S/c1-12-16(11-22(20)15-9-5-8-14(18)10-15)19-17(21-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3/t22-/m0/s1
InChIKeySSJDUDVONKSOSN-QFIPXVFZSA-N
XLogP4.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
CID 141128904
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
CID 141137433
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
N-benzyl-4-[5-methyl-4-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]benzamide
CID 92706258
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46277741
(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 16621729
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110632940
2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56759177

Frequently Asked Questions

What is the IUPAC name of 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole (CID 97313225) is 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1C[S@](=O)c1cccc(Cl)c1.
What is the InChIKey of 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is SSJDUDVONKSOSN-QFIPXVFZSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c1-12-16(11-22(20)15-9-5-8-14(18)10-15)19-17(21-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3/t22-/m0/s1.
What are the key properties of 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 331.82 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 97313225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).