1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide

C15H16N4O3S — CID 71867486

IUPAC1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccon1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C15H16N4O3S/c1-12(18-23(20,21)11-14-6-9-22-17-14)13-4-2-5-15(10-13)19-8-3-7-16-19/h2-10,12,18H,11H2,1H3
InChIKeyXXFFLVVPAZNTFL-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.04
Rot. Bonds6

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

1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide (PubChem CID 71867486) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
PubChem CID71867486
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccon1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C15H16N4O3S/c1-12(18-23(20,21)11-14-6-9-22-17-14)13-4-2-5-15(10-13)19-8-3-7-16-19/h2-10,12,18H,11H2,1H3
InChIKeyXXFFLVVPAZNTFL-UHFFFAOYSA-N
XLogP2.04
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985562
3-cyano-N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985561
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-[(1R)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]ethanesulfonamide
CID 95971403
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 75442926
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 95906052
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
CID 119139749
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide (CID 71867486) is 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide is CC(NS(=O)(=O)Cc1ccon1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide?
The InChIKey is XXFFLVVPAZNTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-12(18-23(20,21)11-14-6-9-22-17-14)13-4-2-5-15(10-13)19-8-3-7-16-19/h2-10,12,18H,11H2,1H3.
What are the key properties of 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide?
1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 71867486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).