N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C19H18N2O3S — CID 3844848

IUPACN-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C19H18N2O3S/c22-25(23,20-13-14-11-12-14)19-17(15-7-3-1-4-8-15)24-18(21-19)16-9-5-2-6-10-16/h1-10,14,20H,11-13H2
InChIKeyXPJXHVZLBITMSX-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.70
Rot. Bonds6

About N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 3844848) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID3844848
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C19H18N2O3S/c22-25(23,20-13-14-11-12-14)19-17(15-7-3-1-4-8-15)24-18(21-19)16-9-5-2-6-10-16/h1-10,14,20H,11-13H2
InChIKeyXPJXHVZLBITMSX-UHFFFAOYSA-N
XLogP3.70
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3702958
2,5-diphenyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-sulfonamide
CID 3783294
N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 5013420
2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide
CID 3758360
N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 4254221
N-(2-methylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25034963
ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 25044869
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25041851
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3775374
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 5100775
[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69029468
N-(cyclopropylmethyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300867

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 3844848) is N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is O=S(=O)(NCC1CC1)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is XPJXHVZLBITMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-25(23,20-13-14-11-12-14)19-17(15-7-3-1-4-8-15)24-18(21-19)16-9-5-2-6-10-16/h1-10,14,20H,11-13H2.
What are the key properties of N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 354.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 3844848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).