2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide

C13H17F3N2O3 — CID 31061860

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cc(OCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1
InChIInChI=1S/C13H17F3N2O3/c1-8-5-12(18-21-8)20-7-11(19)17-10-4-2-3-9(6-10)13(14,15)16/h5,9-10H,2-4,6-7H2,1H3,(H,17,19)/t9-,10+/m1/s1
InChIKeyKLJZMLJMEVCGHE-ZJUUUORDSA-N
MW306.28 g/mol
LogP2.60
Rot. Bonds4

About 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide

2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 31061860) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID31061860
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cc(OCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1
InChIInChI=1S/C13H17F3N2O3/c1-8-5-12(18-21-8)20-7-11(19)17-10-4-2-3-9(6-10)13(14,15)16/h5,9-10H,2-4,6-7H2,1H3,(H,17,19)/t9-,10+/m1/s1
InChIKeyKLJZMLJMEVCGHE-ZJUUUORDSA-N
XLogP2.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43392091
2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86918559
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765573
N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 113462718
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 35224232
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51932289
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223783
N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
2-piperidin-4-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 63876030

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (CID 31061860) is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is Cc1cc(OCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is KLJZMLJMEVCGHE-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-8-5-12(18-21-8)20-7-11(19)17-10-4-2-3-9(6-10)13(14,15)16/h5,9-10H,2-4,6-7H2,1H3,(H,17,19)/t9-,10+/m1/s1.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 306.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 31061860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).