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

C17H17N3O3S — CID 131893335

IUPACN-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
SMILESCN(Cc1cc(-c2ccccn2)no1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H17N3O3S/c1-20(24(21,22)13-14-7-3-2-4-8-14)12-15-11-17(19-23-15)16-9-5-6-10-18-16/h2-11H,12-13H2,1H3
InChIKeyAYITWPFQIRZYEP-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.70
Rot. Bonds6

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

N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide (PubChem CID 131893335) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
PubChem CID131893335
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
SMILESCN(Cc1cc(-c2ccccn2)no1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H17N3O3S/c1-20(24(21,22)13-14-7-3-2-4-8-14)12-15-11-17(19-23-15)16-9-5-6-10-18-16/h2-11H,12-13H2,1H3
InChIKeyAYITWPFQIRZYEP-UHFFFAOYSA-N
XLogP2.70
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
CID 131939149
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
CID 71996846
5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 134704491
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 77084858
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 135116476
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 50967386
2-(5-amino-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 90649169
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72871521
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 110724661
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide (CID 131893335) is N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide is CN(Cc1cc(-c2ccccn2)no1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide?
The InChIKey is AYITWPFQIRZYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20(24(21,22)13-14-7-3-2-4-8-14)12-15-11-17(19-23-15)16-9-5-6-10-18-16/h2-11H,12-13H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide?
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 131893335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).