1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide

C12H12N4O3S — CID 90624726

IUPAC1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide
SMILESCn1cc(NS(=O)(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C12H12N4O3S/c1-16-7-9(6-13-16)15-20(17,18)8-11-10-4-2-3-5-12(10)19-14-11/h2-7,15H,8H2,1H3
InChIKeyMFINXMRKISGGCI-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.50
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide (PubChem CID 90624726) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide
PubChem CID90624726
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide
SMILESCn1cc(NS(=O)(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C12H12N4O3S/c1-16-7-9(6-13-16)15-20(17,18)8-11-10-4-2-3-5-12(10)19-14-11/h2-7,15H,8H2,1H3
InChIKeyMFINXMRKISGGCI-UHFFFAOYSA-N
XLogP1.50
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide (CID 90624726) is 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide is Cn1cc(NS(=O)(=O)Cc2noc3ccccc23)cn1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide?
The InChIKey is MFINXMRKISGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-16-7-9(6-13-16)15-20(17,18)8-11-10-4-2-3-5-12(10)19-14-11/h2-7,15H,8H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 90624726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).