N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide

C15H15N5O4S — CID 77089657

IUPACN-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccon1)c1cccc(S(=O)(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C15H15N5O4S/c21-15(16-9-13-5-7-24-20-13)11-2-1-3-14(8-11)25(22,23)18-10-12-4-6-17-19-12/h1-8,18H,9-10H2,(H,16,21)(H,17,19)
InChIKeyDYXCNYZFFNTLGK-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.81
Rot. Bonds7

About N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide

N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide (PubChem CID 77089657) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
PubChem CID77089657
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccon1)c1cccc(S(=O)(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C15H15N5O4S/c21-15(16-9-13-5-7-24-20-13)11-2-1-3-14(8-11)25(22,23)18-10-12-4-6-17-19-12/h1-8,18H,9-10H2,(H,16,21)(H,17,19)
InChIKeyDYXCNYZFFNTLGK-UHFFFAOYSA-N
XLogP0.81
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
CID 72881405
3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170534
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-[(3S)-3-cyanopiperidin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 99930655
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 99951403
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 74242575
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide (CID 77089657) is N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide is O=C(NCc1ccon1)c1cccc(S(=O)(=O)NCc2ccn[nH]2)c1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
The InChIKey is DYXCNYZFFNTLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c21-15(16-9-13-5-7-24-20-13)11-2-1-3-14(8-11)25(22,23)18-10-12-4-6-17-19-12/h1-8,18H,9-10H2,(H,16,21)(H,17,19).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide has a molecular weight of 361.38 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 77089657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).