4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine

C25H18N2O — CID 91379117

IUPAC4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(-c2nccc3onc(C=Cc4ccccc4)c23)c2ccccc12
InChIInChI=1S/C25H18N2O/c1-17-11-13-21(20-10-6-5-9-19(17)20)25-24-22(27-28-23(24)15-16-26-25)14-12-18-7-3-2-4-8-18/h2-16H,1H3
InChIKeyFLOXUZWODKQVKL-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.52
Rot. Bonds3

About 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine

4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 91379117) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine
PubChem CID91379117
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(-c2nccc3onc(C=Cc4ccccc4)c23)c2ccccc12
InChIInChI=1S/C25H18N2O/c1-17-11-13-21(20-10-6-5-9-19(17)20)25-24-22(27-28-23(24)15-16-26-25)14-12-18-7-3-2-4-8-18/h2-16H,1H3
InChIKeyFLOXUZWODKQVKL-UHFFFAOYSA-N
XLogP6.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(trifluoromethyl)phenyl)butan-2-amine
CID 46880294
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
CID 118727348
US10981893, Example 20
CID 153425555
3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole
CID 10398627
2-(Naphthalen-1-YL)-N-[3-(pyridin-2-YL)-1,2-oxazol-5-YL]acetamide
CID 53143079
3-(1-Naphthyl)-5-(3-pyridinylsulfonyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 45221972
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one
CID 134810445
5-[[2-(2-Fluorophenyl)pyrrolo[3,2-c]pyridin-5-yl]methyl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]isoxazole
CID 25189789
US20240190854, Example 69
CID 164915452
US20240190854, Example 63
CID 164915542

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine (CID 91379117) is 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine is Cc1ccc(-c2nccc3onc(C=Cc4ccccc4)c23)c2ccccc12.
What is the InChIKey of 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is FLOXUZWODKQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c1-17-11-13-21(20-10-6-5-9-19(17)20)25-24-22(27-28-23(24)15-16-26-25)14-12-18-7-3-2-4-8-18/h2-16H,1H3.
What are the key properties of 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine?
4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 362.43 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 91379117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).