4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one

C21H22F3NO3 — CID 67412719

IUPAC4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(c2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3c2)COC(=O)N1
InChIInChI=1S/C21H22F3NO3/c1-20(12-27-19(26)25-20)16-4-2-14-11-18(7-3-13(14)10-16)28-17-8-5-15(6-9-17)21(22,23)24/h2-4,7,10-11,15,17H,5-6,8-9,12H2,1H3,(H,25,26)
InChIKeyMVKDLUUACNSQPJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.29
Rot. Bonds3

About 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one

4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67412719) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
PubChem CID67412719
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(c2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3c2)COC(=O)N1
InChIInChI=1S/C21H22F3NO3/c1-20(12-27-19(26)25-20)16-4-2-14-11-18(7-3-13(14)10-16)28-17-8-5-15(6-9-17)21(22,23)24/h2-4,7,10-11,15,17H,5-6,8-9,12H2,1H3,(H,25,26)
InChIKeyMVKDLUUACNSQPJ-UHFFFAOYSA-N
XLogP5.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one (CID 67412719) is 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one is CC1(c2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3c2)COC(=O)N1.
What is the InChIKey of 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is MVKDLUUACNSQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-20(12-27-19(26)25-20)16-4-2-14-11-18(7-3-13(14)10-16)28-17-8-5-15(6-9-17)21(22,23)24/h2-4,7,10-11,15,17H,5-6,8-9,12H2,1H3,(H,25,26).
What are the key properties of 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 393.41 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67412719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).