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

C18H18N2O3S — CID 110666401

IUPACN-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESCc1oc(CNS(=O)(=O)Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-14-18(16-10-6-3-7-11-16)20-17(23-14)12-19-24(21,22)13-15-8-4-2-5-9-15/h2-11,19H,12-13H2,1H3
InChIKeyKBOKOZNOKIQUSI-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.27
Rot. Bonds6

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

N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 110666401) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID110666401
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESCc1oc(CNS(=O)(=O)Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-14-18(16-10-6-3-7-11-16)20-17(23-14)12-19-24(21,22)13-15-8-4-2-5-9-15/h2-11,19H,12-13H2,1H3
InChIKeyKBOKOZNOKIQUSI-UHFFFAOYSA-N
XLogP3.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
CID 110666422
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 110446172
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-nitrophenyl)methanesulfonamide
CID 86825318
2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole
CID 21435665
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110666367
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
1-phenyl-N-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 11757924
1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319492
5-methyl-4-phenyl-2-[(2S)-2-phenylbut-3-enyl]-1,3-oxazole
CID 164674707
3-(dimethylamino)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110666314

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide (CID 110666401) is N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide is Cc1oc(CNS(=O)(=O)Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is KBOKOZNOKIQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-14-18(16-10-6-3-7-11-16)20-17(23-14)12-19-24(21,22)13-15-8-4-2-5-9-15/h2-11,19H,12-13H2,1H3.
What are the key properties of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide?
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110666401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).