[3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine

C30H26Cl2N2O2 — CID 25165954

IUPAC[3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3cccc(CN)c3)ccc2c1
InChIInChI=1S/C30H26Cl2N2O2/c1-18(2)30-25(29(34-36-30)28-26(31)7-4-8-27(28)32)17-35-24-12-11-22-14-21(9-10-23(22)15-24)20-6-3-5-19(13-20)16-33/h3-15,18H,16-17,33H2,1-2H3
InChIKeyGZJIYRRSYNTGFL-UHFFFAOYSA-N
MW517.46 g/mol
LogP8.63
Rot. Bonds7

About [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine

[3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine (PubChem CID 25165954) has the molecular formula C30H26Cl2N2O2 and a molecular weight of 517.46 g/mol. Its IUPAC name is [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine
PubChem CID25165954
Molecular FormulaC30H26Cl2N2O2
Molecular Weight517.46 g/mol
Exact Mass516.14
IUPAC Name[3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3cccc(CN)c3)ccc2c1
InChIInChI=1S/C30H26Cl2N2O2/c1-18(2)30-25(29(34-36-30)28-26(31)7-4-8-27(28)32)17-35-24-12-11-22-14-21(9-10-23(22)15-24)20-6-3-5-19(13-20)16-33/h3-15,18H,16-17,33H2,1-2H3
InChIKeyGZJIYRRSYNTGFL-UHFFFAOYSA-N
XLogP8.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.46
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine?
The IUPAC name of [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine (CID 25165954) is [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3cccc(CN)c3)ccc2c1.
What is the InChIKey of [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine?
The InChIKey is GZJIYRRSYNTGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N2O2/c1-18(2)30-25(29(34-36-30)28-26(31)7-4-8-27(28)32)17-35-24-12-11-22-14-21(9-10-23(22)15-24)20-6-3-5-19(13-20)16-33/h3-15,18H,16-17,33H2,1-2H3.
What are the key properties of [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine?
[3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine has a molecular weight of 517.46 g/mol, XLogP of 8.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine is sourced from PubChem (CID 25165954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).