2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole

C26H16N2O2 — CID 91554011

IUPAC2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole
SMILESc1ccc2c(-c3c(-c4ncco4)ccc4ccccc34)c(-c3ncco3)ccc2c1
InChIInChI=1S/C26H16N2O2/c1-3-7-19-17(5-1)9-11-21(25-27-13-15-29-25)23(19)24-20-8-4-2-6-18(20)10-12-22(24)26-28-14-16-30-26/h1-16H
InChIKeyWUWDKLGMZPANIQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP6.97
Rot. Bonds3

About 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole

2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole (PubChem CID 91554011) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole
PubChem CID91554011
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole
SMILESc1ccc2c(-c3c(-c4ncco4)ccc4ccccc34)c(-c3ncco3)ccc2c1
InChIInChI=1S/C26H16N2O2/c1-3-7-19-17(5-1)9-11-21(25-27-13-15-29-25)23(19)24-20-8-4-2-6-18(20)10-12-22(24)26-28-14-16-30-26/h1-16H
InChIKeyWUWDKLGMZPANIQ-UHFFFAOYSA-N
XLogP6.97
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Bis(4-biphenylyl)oxazole
CID 95231
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
7-(Naphthalen-2-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736617
(1R,2R,3R)-N-hydroxy-2-[4-(1,3-oxazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 60148788
2-(4-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)isoquinolin-6-yl)oxazole
CID 118660670
Methyl 4-[5-(1-naphthyl)-1,3-oxazol-2-yl]benzoate
CID 1212564
1-(1,3-Oxazol-2-yl)-7-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]heptan-1-one
CID 44350688
(R)-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone
CID 52951691
(S)-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone
CID 52952694
9-(5-Naphthalen-2-yl-1,3-oxazol-2-yl)-9-(pyridin-4-ylmethoxy)nonan-3-one
CID 156019161
US10087191, Example 54
CID 124148482

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole (CID 91554011) is 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole is c1ccc2c(-c3c(-c4ncco4)ccc4ccccc34)c(-c3ncco3)ccc2c1.
What is the InChIKey of 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole?
The InChIKey is WUWDKLGMZPANIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2/c1-3-7-19-17(5-1)9-11-21(25-27-13-15-29-25)23(19)24-20-8-4-2-6-18(20)10-12-22(24)26-28-14-16-30-26/h1-16H.
What are the key properties of 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole?
2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole has a molecular weight of 388.43 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole is sourced from PubChem (CID 91554011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).