N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C14H18N2O4S — CID 115642587

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC(C)(CO)c2ccccc2)no1
InChIInChI=1S/C14H18N2O4S/c1-11-8-13(15-20-11)9-21(18,19)16-14(2,10-17)12-6-4-3-5-7-12/h3-8,16-17H,9-10H2,1-2H3
InChIKeyWFKYOCUUILYMRD-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.31
Rot. Bonds6

About N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 115642587) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID115642587
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC(C)(CO)c2ccccc2)no1
InChIInChI=1S/C14H18N2O4S/c1-11-8-13(15-20-11)9-21(18,19)16-14(2,10-17)12-6-4-3-5-7-12/h3-8,16-17H,9-10H2,1-2H3
InChIKeyWFKYOCUUILYMRD-UHFFFAOYSA-N
XLogP1.31
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide
CID 66559118
N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-4-isoxazolesulfonamide
CID 2813979
N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 51355577
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide
CID 56950424
1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide
CID 12506982
2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
CID 56800236
N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide
CID 71882511
2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide
CID 75387753
2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 84585738
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47559747
(3-Phenyl-1,2-oxazol-5-yl)methanesulfonamide
CID 54592547
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)isoxazole-4-sulfonamide
CID 71781994

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 115642587) is N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NC(C)(CO)c2ccccc2)no1.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is WFKYOCUUILYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11-8-13(15-20-11)9-21(18,19)16-14(2,10-17)12-6-4-3-5-7-12/h3-8,16-17H,9-10H2,1-2H3.
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 115642587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).