N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide

C11H11N5O3S — CID 141150963

IUPACN-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3oc(N)nc3c2)c1
InChIInChI=1S/C11H11N5O3S/c1-16-5-10(13-6-16)20(17,18)15-7-2-3-9-8(4-7)14-11(12)19-9/h2-6,15H,1H3,(H2,12,14)
InChIKeyCDOQQPPBBSOTQZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.94
Rot. Bonds3

About N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide

N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 141150963) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide
PubChem CID141150963
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3oc(N)nc3c2)c1
InChIInChI=1S/C11H11N5O3S/c1-16-5-10(13-6-16)20(17,18)15-7-2-3-9-8(4-7)14-11(12)19-9/h2-6,15H,1H3,(H2,12,14)
InChIKeyCDOQQPPBBSOTQZ-UHFFFAOYSA-N
XLogP0.94
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide (CID 141150963) is N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc3oc(N)nc3c2)c1.
What is the InChIKey of N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is CDOQQPPBBSOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-16-5-10(13-6-16)20(17,18)15-7-2-3-9-8(4-7)14-11(12)19-9/h2-6,15H,1H3,(H2,12,14).
What are the key properties of N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide?
N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 293.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 141150963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).