2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

C34H20F2N2O — CID 163978263

IUPAC2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ncccc7o6)cc5)ccc4c3)cc2)c1
InChIInChI=1S/C34H20F2N2O/c35-30-18-29(19-31(36)20-30)23-5-3-21(4-6-23)25-11-13-28-17-26(12-14-27(28)16-25)22-7-9-24(10-8-22)34-38-33-32(39-34)2-1-15-37-33/h1-20H
InChIKeySWBRZDGJRMAEAO-UHFFFAOYSA-N
MW510.54 g/mol
LogP9.32
Rot. Bonds4

About 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 163978263) has the molecular formula C34H20F2N2O and a molecular weight of 510.54 g/mol. Its IUPAC name is 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID163978263
Molecular FormulaC34H20F2N2O
Molecular Weight510.54 g/mol
Exact Mass510.15
IUPAC Name2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ncccc7o6)cc5)ccc4c3)cc2)c1
InChIInChI=1S/C34H20F2N2O/c35-30-18-29(19-31(36)20-30)23-5-3-21(4-6-23)25-11-13-28-17-26(12-14-27(28)16-25)22-7-9-24(10-8-22)34-38-33-32(39-34)2-1-15-37-33/h1-20H
InChIKeySWBRZDGJRMAEAO-UHFFFAOYSA-N
XLogP9.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
2-[4-(furan-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 168526083
2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91678562
2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 22754795
2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 171056538
2,6-dibromo-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 17274028
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802
3-fluoro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 2279563
N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride
CID 22754817
2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
CID 89434393
3-fluoro-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2993265
2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339194

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (CID 163978263) is 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is Fc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ncccc7o6)cc5)ccc4c3)cc2)c1.
What is the InChIKey of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is SWBRZDGJRMAEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F2N2O/c35-30-18-29(19-31(36)20-30)23-5-3-21(4-6-23)25-11-13-28-17-26(12-14-27(28)16-25)22-7-9-24(10-8-22)34-38-33-32(39-34)2-1-15-37-33/h1-20H.
What are the key properties of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 510.54 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 163978263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).