2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide

C12H14N4O4S — CID 167911568

IUPAC2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)c2coc(CC3CC3)n2)c1
InChIInChI=1S/C12H14N4O4S/c1-16-5-11(13-7-16)21(18,19)15-12(17)9-6-20-10(14-9)4-8-2-3-8/h5-8H,2-4H2,1H3,(H,15,17)
InChIKeyURJGMJBGBWXUMY-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.48
Rot. Bonds5

About 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide

2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide (PubChem CID 167911568) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide
PubChem CID167911568
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)c2coc(CC3CC3)n2)c1
InChIInChI=1S/C12H14N4O4S/c1-16-5-11(13-7-16)21(18,19)15-12(17)9-6-20-10(14-9)4-8-2-3-8/h5-8H,2-4H2,1H3,(H,15,17)
InChIKeyURJGMJBGBWXUMY-UHFFFAOYSA-N
XLogP0.48
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide (CID 167911568) is 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide is Cn1cnc(S(=O)(=O)NC(=O)c2coc(CC3CC3)n2)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide?
The InChIKey is URJGMJBGBWXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-16-5-11(13-7-16)21(18,19)15-12(17)9-6-20-10(14-9)4-8-2-3-8/h5-8H,2-4H2,1H3,(H,15,17).
What are the key properties of 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide?
2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167911568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).