1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide

C19H19ClN2O3S — CID 110641069

IUPAC1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-14-18(22-19(25-14)15-7-3-2-4-8-15)11-12-21-26(23,24)13-16-9-5-6-10-17(16)20/h2-10,21H,11-13H2,1H3
InChIKeyYSEMHFRBKIPNID-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.97
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide (PubChem CID 110641069) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide
PubChem CID110641069
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-14-18(22-19(25-14)15-7-3-2-4-8-15)11-12-21-26(23,24)13-16-9-5-6-10-17(16)20/h2-10,21H,11-13H2,1H3
InChIKeyYSEMHFRBKIPNID-UHFFFAOYSA-N
XLogP3.97
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110641168
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056
5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid
CID 11611667
1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
CID 56823586
2-chloro-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641199
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223
5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 146152159
1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718502
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
CID 110641282
3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 51130666

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide (CID 110641069) is 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide is Cc1oc(-c2ccccc2)nc1CCNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is YSEMHFRBKIPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-14-18(22-19(25-14)15-7-3-2-4-8-15)11-12-21-26(23,24)13-16-9-5-6-10-17(16)20/h2-10,21H,11-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110641069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).