3-anthracen-2-yl-1,2-benzoxazole

C21H13NO — CID 153493009

IUPAC3-anthracen-2-yl-1,2-benzoxazole
SMILESc1ccc2cc3cc(-c4noc5ccccc45)ccc3cc2c1
InChIInChI=1S/C21H13NO/c1-2-6-15-12-18-13-17(10-9-16(18)11-14(15)5-1)21-19-7-3-4-8-20(19)23-22-21/h1-13H
InChIKeyDROZPXDZNWPDHN-UHFFFAOYSA-N
MW295.34 g/mol
LogP5.80
Rot. Bonds1

About 3-anthracen-2-yl-1,2-benzoxazole

3-anthracen-2-yl-1,2-benzoxazole (PubChem CID 153493009) has the molecular formula C21H13NO and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-anthracen-2-yl-1,2-benzoxazole.

Molecular Properties

Compound Name3-anthracen-2-yl-1,2-benzoxazole
PubChem CID153493009
Molecular FormulaC21H13NO
Molecular Weight295.34 g/mol
Exact Mass295.10
IUPAC Name3-anthracen-2-yl-1,2-benzoxazole
SMILESc1ccc2cc3cc(-c4noc5ccccc45)ccc3cc2c1
InChIInChI=1S/C21H13NO/c1-2-6-15-12-18-13-17(10-9-16(18)11-14(15)5-1)21-19-7-3-4-8-20(19)23-22-21/h1-13H
InChIKeyDROZPXDZNWPDHN-UHFFFAOYSA-N
XLogP5.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-benzoxazole
CID 153493031
3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
CID 5287551
10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole
CID 169078077
2-naphthalen-1-ylanthracene
CID 2748705
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208962
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-2-yl-1,2-benzoxazole?
The IUPAC name of 3-anthracen-2-yl-1,2-benzoxazole (CID 153493009) is 3-anthracen-2-yl-1,2-benzoxazole.
What is the SMILES notation for 3-anthracen-2-yl-1,2-benzoxazole?
The canonical SMILES for 3-anthracen-2-yl-1,2-benzoxazole is c1ccc2cc3cc(-c4noc5ccccc45)ccc3cc2c1.
What is the InChIKey of 3-anthracen-2-yl-1,2-benzoxazole?
The InChIKey is DROZPXDZNWPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO/c1-2-6-15-12-18-13-17(10-9-16(18)11-14(15)5-1)21-19-7-3-4-8-20(19)23-22-21/h1-13H.
What are the key properties of 3-anthracen-2-yl-1,2-benzoxazole?
3-anthracen-2-yl-1,2-benzoxazole has a molecular weight of 295.34 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-2-yl-1,2-benzoxazole is sourced from PubChem (CID 153493009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).