2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide

C12H18N2O5S — CID 91643832

IUPAC2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESO=C(COC1CCCCC1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H18N2O5S/c15-12(8-18-11-4-2-1-3-5-11)14-20(16,17)9-10-6-7-19-13-10/h6-7,11H,1-5,8-9H2,(H,14,15)
InChIKeyZJWYBWSDTDPOBA-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.97
Rot. Bonds6

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

2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (PubChem CID 91643832) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
PubChem CID91643832
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESO=C(COC1CCCCC1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H18N2O5S/c15-12(8-18-11-4-2-1-3-5-11)14-20(16,17)9-10-6-7-19-13-10/h6-7,11H,1-5,8-9H2,(H,14,15)
InChIKeyZJWYBWSDTDPOBA-UHFFFAOYSA-N
XLogP0.97
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997759
2-(4-methoxycyclohexyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
CID 91646437
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97574711
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97574712
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97574713
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97574714
(2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
CID 99591003
(2R)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
CID 99591004
(2R)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide
CID 99592170
(2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide
CID 99592171
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
CID 99813388
(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
CID 99813390

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The IUPAC name of 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (CID 91643832) is 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is O=C(COC1CCCCC1)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The InChIKey is ZJWYBWSDTDPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c15-12(8-18-11-4-2-1-3-5-11)14-20(16,17)9-10-6-7-19-13-10/h6-7,11H,1-5,8-9H2,(H,14,15).
What are the key properties of 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide has a molecular weight of 302.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 91643832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).