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

C23H29NO3 — CID 67413959

IUPAC(4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
SMILESCCCC1CCC(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1
InChIInChI=1S/C23H29NO3/c1-3-4-16-5-10-20(11-6-16)27-21-12-8-17-13-19(9-7-18(17)14-21)23(2)15-26-22(25)24-23/h7-9,12-14,16,20H,3-6,10-11,15H2,1-2H3,(H,24,25)/t16?,20?,23-/m0/s1
InChIKeyWHUJCXXVTRWJIL-JCJCGPQSSA-N
MW367.49 g/mol
LogP5.53
Rot. Bonds5

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

(4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67413959) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
PubChem CID67413959
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
SMILESCCCC1CCC(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1
InChIInChI=1S/C23H29NO3/c1-3-4-16-5-10-20(11-6-16)27-21-12-8-17-13-19(9-7-18(17)14-21)23(2)15-26-22(25)24-23/h7-9,12-14,16,20H,3-6,10-11,15H2,1-2H3,(H,24,25)/t16?,20?,23-/m0/s1
InChIKeyWHUJCXXVTRWJIL-JCJCGPQSSA-N
XLogP5.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one (CID 67413959) is (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one is CCCC1CCC(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1.
What is the InChIKey of (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is WHUJCXXVTRWJIL-JCJCGPQSSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-4-16-5-10-20(11-6-16)27-21-12-8-17-13-19(9-7-18(17)14-21)23(2)15-26-22(25)24-23/h7-9,12-14,16,20H,3-6,10-11,15H2,1-2H3,(H,24,25)/t16?,20?,23-/m0/s1.
What are the key properties of (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one?
(4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67413959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).