N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide

C8H10N4O3S — CID 103737557

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cnc[nH]2)o1
InChIInChI=1S/C8H10N4O3S/c1-6-2-10-7(15-6)3-12-16(13,14)8-4-9-5-11-8/h2,4-5,12H,3H2,1H3,(H,9,11)
InChIKeyNGPUQHQECMRDRH-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.18
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 103737557) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID103737557
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cnc[nH]2)o1
InChIInChI=1S/C8H10N4O3S/c1-6-2-10-7(15-6)3-12-16(13,14)8-4-9-5-11-8/h2,4-5,12H,3H2,1H3,(H,9,11)
InChIKeyNGPUQHQECMRDRH-UHFFFAOYSA-N
XLogP0.18
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide (CID 103737557) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide is Cc1cnc(CNS(=O)(=O)c2cnc[nH]2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is NGPUQHQECMRDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-6-2-10-7(15-6)3-12-16(13,14)8-4-9-5-11-8/h2,4-5,12H,3H2,1H3,(H,9,11).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103737557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).