N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

C17H22N2O3S — CID 17254214

IUPACN-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCC1CCCCC1NC(=O)COCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H22N2O3S/c1-12-5-2-3-6-14(12)18-17(20)11-21-10-13-9-15(22-19-13)16-7-4-8-23-16/h4,7-9,12,14H,2-3,5-6,10-11H2,1H3,(H,18,20)
InChIKeySBYJALQCSNMVCU-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.61
Rot. Bonds6

About N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (PubChem CID 17254214) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
PubChem CID17254214
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCC1CCCCC1NC(=O)COCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H22N2O3S/c1-12-5-2-3-6-14(12)18-17(20)11-21-10-13-9-15(22-19-13)16-7-4-8-23-16/h4,7-9,12,14H,2-3,5-6,10-11H2,1H3,(H,18,20)
InChIKeySBYJALQCSNMVCU-UHFFFAOYSA-N
XLogP3.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (CID 17254214) is N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is CC1CCCCC1NC(=O)COCc1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The InChIKey is SBYJALQCSNMVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-5-2-3-6-14(12)18-17(20)11-21-10-13-9-15(22-19-13)16-7-4-8-23-16/h4,7-9,12,14H,2-3,5-6,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide has a molecular weight of 334.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is sourced from PubChem (CID 17254214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).