2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole

C26H18N2O — CID 157498338

IUPAC2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C26H18N2O/c1-4-10-23-19(7-1)17-20-8-2-5-11-24(20)28(23)21-15-13-18(14-16-21)26-27-22-9-3-6-12-25(22)29-26/h1-16H,17H2
InChIKeyIILZHIAEDHWMGR-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.87
Rot. Bonds2

About 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole

2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole (PubChem CID 157498338) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
PubChem CID157498338
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C26H18N2O/c1-4-10-23-19(7-1)17-20-8-2-5-11-24(20)28(23)21-15-13-18(14-16-21)26-27-22-9-3-6-12-25(22)29-26/h1-16H,17H2
InChIKeyIILZHIAEDHWMGR-UHFFFAOYSA-N
XLogP6.87
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677444
2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole
CID 155108360
2-[3,5-bis(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 158045763
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58489486
2-(4-indol-1-ylphenyl)-1,3-benzoxazole
CID 150646214
1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-benzylsulfanylpyrrolidine-2,5-dione
CID 2928312
2-[4-(14,21-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15,17,19-nonaen-21-yl)phenyl]-1,3-benzoxazole
CID 156665744
2-[4-(1,3-benzoxazol-2-yl)phenyl]-4-fluoroisoindole-1,3-dione
CID 3644585
2-[4-[(E)-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 102380777
10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
CID 118335134

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole (CID 157498338) is 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole is c1ccc2c(c1)Cc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole?
The InChIKey is IILZHIAEDHWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c1-4-10-23-19(7-1)17-20-8-2-5-11-24(20)28(23)21-15-13-18(14-16-21)26-27-22-9-3-6-12-25(22)29-26/h1-16H,17H2.
What are the key properties of 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole?
2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole has a molecular weight of 374.44 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 157498338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).