2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide

C13H20N2O5S — CID 91646437

IUPAC2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESCOC1CCC(CC(=O)NS(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C13H20N2O5S/c1-19-12-4-2-10(3-5-12)8-13(16)15-21(17,18)9-11-6-7-20-14-11/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16)
InChIKeySIOKJTCCYMMRFR-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.22
Rot. Bonds6

About 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide

2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (PubChem CID 91646437) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
PubChem CID91646437
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESCOC1CCC(CC(=O)NS(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C13H20N2O5S/c1-19-12-4-2-10(3-5-12)8-13(16)15-21(17,18)9-11-6-7-20-14-11/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16)
InChIKeySIOKJTCCYMMRFR-UHFFFAOYSA-N
XLogP1.22
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The IUPAC name of 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (CID 91646437) is 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.
What is the SMILES notation for 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The canonical SMILES for 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is COC1CCC(CC(=O)NS(=O)(=O)Cc2ccon2)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The InChIKey is SIOKJTCCYMMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-19-12-4-2-10(3-5-12)8-13(16)15-21(17,18)9-11-6-7-20-14-11/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 91646437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).