N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide

C10H16N2O4S — CID 74231423

IUPACN-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1ccon1
InChIInChI=1S/C10H16N2O4S/c1-8(2)7-17(14,15)6-4-11-10(13)9-3-5-16-12-9/h3,5,8H,4,6-7H2,1-2H3,(H,11,13)
InChIKeyPWTPKKXRMXXDMT-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.48
Rot. Bonds6

About N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide

N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 74231423) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID74231423
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC NameN-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1ccon1
InChIInChI=1S/C10H16N2O4S/c1-8(2)7-17(14,15)6-4-11-10(13)9-3-5-16-12-9/h3,5,8H,4,6-7H2,1-2H3,(H,11,13)
InChIKeyPWTPKKXRMXXDMT-UHFFFAOYSA-N
XLogP0.48
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide (CID 74231423) is N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide is CC(C)CS(=O)(=O)CCNC(=O)c1ccon1.
What is the InChIKey of N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PWTPKKXRMXXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-8(2)7-17(14,15)6-4-11-10(13)9-3-5-16-12-9/h3,5,8H,4,6-7H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide?
N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfonyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 74231423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).