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

C22H25F2NO3 — CID 67412829

IUPAC(4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(F)(F)C1CCC(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1
InChIInChI=1S/C22H25F2NO3/c1-21(13-27-20(26)25-21)17-5-3-15-12-19(8-4-14(15)11-17)28-18-9-6-16(7-10-18)22(2,23)24/h3-5,8,11-12,16,18H,6-7,9-10,13H2,1-2H3,(H,25,26)/t16?,18?,21-/m0/s1
InChIKeyPANPUBAZYJUABD-IAYYMHMVSA-N
MW389.44 g/mol
LogP5.39
Rot. Bonds4

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

(4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67412829) has the molecular formula C22H25F2NO3 and a molecular weight of 389.44 g/mol. Its IUPAC name is (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67412829
Molecular FormulaC22H25F2NO3
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name(4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(F)(F)C1CCC(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1
InChIInChI=1S/C22H25F2NO3/c1-21(13-27-20(26)25-21)17-5-3-15-12-19(8-4-14(15)11-17)28-18-9-6-16(7-10-18)22(2,23)24/h3-5,8,11-12,16,18H,6-7,9-10,13H2,1-2H3,(H,25,26)/t16?,18?,21-/m0/s1
InChIKeyPANPUBAZYJUABD-IAYYMHMVSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 67412829) is (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one is CC(F)(F)C1CCC(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1.
What is the InChIKey of (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is PANPUBAZYJUABD-IAYYMHMVSA-N. The full InChI is InChI=1S/C22H25F2NO3/c1-21(13-27-20(26)25-21)17-5-3-15-12-19(8-4-14(15)11-17)28-18-9-6-16(7-10-18)22(2,23)24/h3-5,8,11-12,16,18H,6-7,9-10,13H2,1-2H3,(H,25,26)/t16?,18?,21-/m0/s1.
What are the key properties of (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 389.44 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[6-[4-(1,1-difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67412829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).