4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine

C32H40FNO — CID 18411091

IUPAC4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine
SMILESCCCC1CCC(c2ccc3c(F)c(-c4ccc(C5NC(CC)(CC)CO5)cc4)ccc3c2)CC1
InChIInChI=1S/C32H40FNO/c1-4-7-22-8-10-23(11-9-22)26-16-18-29-27(20-26)17-19-28(30(29)33)24-12-14-25(15-13-24)31-34-32(5-2,6-3)21-35-31/h12-20,22-23,31,34H,4-11,21H2,1-3H3
InChIKeyINOWZBALDZUKLM-UHFFFAOYSA-N
MW473.68 g/mol
LogP8.90
Rot. Bonds7

About 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine

4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine (PubChem CID 18411091) has the molecular formula C32H40FNO and a molecular weight of 473.68 g/mol. Its IUPAC name is 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine
PubChem CID18411091
Molecular FormulaC32H40FNO
Molecular Weight473.68 g/mol
Exact Mass473.31
IUPAC Name4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine
SMILESCCCC1CCC(c2ccc3c(F)c(-c4ccc(C5NC(CC)(CC)CO5)cc4)ccc3c2)CC1
InChIInChI=1S/C32H40FNO/c1-4-7-22-8-10-23(11-9-22)26-16-18-29-27(20-26)17-19-28(30(29)33)24-12-14-25(15-13-24)31-34-32(5-2,6-3)21-35-31/h12-20,22-23,31,34H,4-11,21H2,1-3H3
InChIKeyINOWZBALDZUKLM-UHFFFAOYSA-N
XLogP8.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.68
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine?
The IUPAC name of 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine (CID 18411091) is 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine.
What is the SMILES notation for 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine?
The canonical SMILES for 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine is CCCC1CCC(c2ccc3c(F)c(-c4ccc(C5NC(CC)(CC)CO5)cc4)ccc3c2)CC1.
What is the InChIKey of 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine?
The InChIKey is INOWZBALDZUKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FNO/c1-4-7-22-8-10-23(11-9-22)26-16-18-29-27(20-26)17-19-28(30(29)33)24-12-14-25(15-13-24)31-34-32(5-2,6-3)21-35-31/h12-20,22-23,31,34H,4-11,21H2,1-3H3.
What are the key properties of 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine?
4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine has a molecular weight of 473.68 g/mol, XLogP of 8.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine is sourced from PubChem (CID 18411091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).