2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide

C14H21ClN2O2 — CID 95597089

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide
SMILESCc1noc(Cl)c1CC(=O)NC[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C14H21ClN2O2/c1-9-4-3-5-11(6-9)8-16-13(18)7-12-10(2)17-19-14(12)15/h9,11H,3-8H2,1-2H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyUKBGWZXLHZGVEA-KOLCDFICSA-N
MW284.79 g/mol
LogP3.12
Rot. Bonds4

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide (PubChem CID 95597089) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide
PubChem CID95597089
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide
SMILESCc1noc(Cl)c1CC(=O)NC[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C14H21ClN2O2/c1-9-4-3-5-11(6-9)8-16-13(18)7-12-10(2)17-19-14(12)15/h9,11H,3-8H2,1-2H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyUKBGWZXLHZGVEA-KOLCDFICSA-N
XLogP3.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide (CID 95597089) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide is Cc1noc(Cl)c1CC(=O)NC[C@H]1CCC[C@@H](C)C1.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide?
The InChIKey is UKBGWZXLHZGVEA-KOLCDFICSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9-4-3-5-11(6-9)8-16-13(18)7-12-10(2)17-19-14(12)15/h9,11H,3-8H2,1-2H3,(H,16,18)/t9-,11+/m1/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide has a molecular weight of 284.79 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]acetamide is sourced from PubChem (CID 95597089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).