2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole

C22H15NO — CID 174624711

IUPAC2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole
SMILESC1=CC(c2ccc(-c3ncco3)cc2)c2cccc3cccc1c23
InChIInChI=1S/C22H15NO/c1-3-16-5-2-6-20-19(12-11-17(4-1)21(16)20)15-7-9-18(10-8-15)22-23-13-14-24-22/h1-14,19H
InChIKeyGHPPKARKMSFCHI-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.65
Rot. Bonds2

About 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole

2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole (PubChem CID 174624711) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole
PubChem CID174624711
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole
SMILESC1=CC(c2ccc(-c3ncco3)cc2)c2cccc3cccc1c23
InChIInChI=1S/C22H15NO/c1-3-16-5-2-6-20-19(12-11-17(4-1)21(16)20)15-7-9-18(10-8-15)22-23-13-14-24-22/h1-14,19H
InChIKeyGHPPKARKMSFCHI-UHFFFAOYSA-N
XLogP5.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Bis(4-biphenylyl)oxazole
CID 95231
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
2-Phenyl-1,3-oxazole
CID 589280
(1R,2R,3R)-N-hydroxy-2-[4-(1,3-oxazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 60148788
Methyl 4-[5-(1-naphthyl)-1,3-oxazol-2-yl]benzoate
CID 1212564
(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
5-(1,1'-Biphenyl)-4-yl-2-phenyloxazole
CID 70064
US10087191, Example 54
CID 124148482
2-(4-Methylphenyl)-1,3-oxazole
CID 12371753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole (CID 174624711) is 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole is C1=CC(c2ccc(-c3ncco3)cc2)c2cccc3cccc1c23.
What is the InChIKey of 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole?
The InChIKey is GHPPKARKMSFCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO/c1-3-16-5-2-6-20-19(12-11-17(4-1)21(16)20)15-7-9-18(10-8-15)22-23-13-14-24-22/h1-14,19H.
What are the key properties of 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole?
2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole has a molecular weight of 309.37 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-phenalen-1-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 174624711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).