1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide

C17H17N3O3S — CID 96566955

IUPAC1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1ccon1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-13(20-24(21,22)12-17-8-10-23-19-17)14-4-6-15(7-5-14)16-3-2-9-18-11-16/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyGBHKHCBQKQVLJW-CYBMUJFWSA-N
MW343.41 g/mol
LogP2.92
Rot. Bonds6

About 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide

1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide (PubChem CID 96566955) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide
PubChem CID96566955
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1ccon1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-13(20-24(21,22)12-17-8-10-23-19-17)14-4-6-15(7-5-14)16-3-2-9-18-11-16/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyGBHKHCBQKQVLJW-CYBMUJFWSA-N
XLogP2.92
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
CID 71867486
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide
CID 95970916
3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
CID 20761928
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 97334733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 75443598
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
CID 96567500
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 124615499
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide (CID 96566955) is 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)Cc1ccon1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide?
The InChIKey is GBHKHCBQKQVLJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-13(20-24(21,22)12-17-8-10-23-19-17)14-4-6-15(7-5-14)16-3-2-9-18-11-16/h2-11,13,20H,12H2,1H3/t13-/m1/s1.
What are the key properties of 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide?
1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 96566955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).