3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide

C15H18N4O3S — CID 110779168

IUPAC3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C15H18N4O3S/c1-9(2)19-8-16-13-7-12(5-6-14(13)19)18-23(20,21)15-10(3)17-22-11(15)4/h5-9,18H,1-4H3
InChIKeyFRYZUDHAFOBPET-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.02
Rot. Bonds4

About 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 110779168) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
PubChem CID110779168
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C15H18N4O3S/c1-9(2)19-8-16-13-7-12(5-6-14(13)19)18-23(20,21)15-10(3)17-22-11(15)4/h5-9,18H,1-4H3
InChIKeyFRYZUDHAFOBPET-UHFFFAOYSA-N
XLogP3.02
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 11532253
3,5-dimethyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779365
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
CID 110779156
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110779414
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide (CID 110779168) is 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is FRYZUDHAFOBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(2)19-8-16-13-7-12(5-6-14(13)19)18-23(20,21)15-10(3)17-22-11(15)4/h5-9,18H,1-4H3.
What are the key properties of 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110779168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).