2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide

C8H10N2O4S — CID 175914245

IUPAC2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide
SMILESCS(=O)(=O)C1(c2ncc(C(N)=O)o2)CC1
InChIInChI=1S/C8H10N2O4S/c1-15(12,13)8(2-3-8)7-10-4-5(14-7)6(9)11/h4H,2-3H2,1H3,(H2,9,11)
InChIKeyDYLWAYMGQBCEQI-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.19
Rot. Bonds3

About 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide

2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide (PubChem CID 175914245) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide
PubChem CID175914245
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide
SMILESCS(=O)(=O)C1(c2ncc(C(N)=O)o2)CC1
InChIInChI=1S/C8H10N2O4S/c1-15(12,13)8(2-3-8)7-10-4-5(14-7)6(9)11/h4H,2-3H2,1H3,(H2,9,11)
InChIKeyDYLWAYMGQBCEQI-UHFFFAOYSA-N
XLogP-0.19
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide (CID 175914245) is 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide is CS(=O)(=O)C1(c2ncc(C(N)=O)o2)CC1.
What is the InChIKey of 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide?
The InChIKey is DYLWAYMGQBCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-15(12,13)8(2-3-8)7-10-4-5(14-7)6(9)11/h4H,2-3H2,1H3,(H2,9,11).
What are the key properties of 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide?
2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide has a molecular weight of 230.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175914245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).