2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole

C24H15N3O — CID 129040223

IUPAC2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2c(c1)ccc1c(-c3ccc(-c4nc5ccccc5o4)cc3)cnn12
InChIInChI=1S/C24H15N3O/c1-3-7-21-17(5-1)13-14-22-19(15-25-27(21)22)16-9-11-18(12-10-16)24-26-20-6-2-4-8-23(20)28-24/h1-15H
InChIKeyWDPKMJPTGYBITC-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.96
Rot. Bonds2

About 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole

2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole (PubChem CID 129040223) has the molecular formula C24H15N3O and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole
PubChem CID129040223
Molecular FormulaC24H15N3O
Molecular Weight361.40 g/mol
Exact Mass361.12
IUPAC Name2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2c(c1)ccc1c(-c3ccc(-c4nc5ccccc5o4)cc3)cnn12
InChIInChI=1S/C24H15N3O/c1-3-7-21-17(5-1)13-14-22-19(15-25-27(21)22)16-9-11-18(12-10-16)24-26-20-6-2-4-8-23(20)28-24/h1-15H
InChIKeyWDPKMJPTGYBITC-UHFFFAOYSA-N
XLogP5.96
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-indol-1-ylphenyl)-1,3-benzoxazole
CID 150646214
4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-indol-1-ylphenyl)aniline
CID 166922197
2-[4-[3-(4-phenanthren-9-ylphenyl)quinoxalin-2-yl]phenyl]-1,3-benzoxazole
CID 156561959
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-(4-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677444
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole (CID 129040223) is 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole is c1ccc2c(c1)ccc1c(-c3ccc(-c4nc5ccccc5o4)cc3)cnn12.
What is the InChIKey of 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole?
The InChIKey is WDPKMJPTGYBITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O/c1-3-7-21-17(5-1)13-14-22-19(15-25-27(21)22)16-9-11-18(12-10-16)24-26-20-6-2-4-8-23(20)28-24/h1-15H.
What are the key properties of 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole?
2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole has a molecular weight of 361.40 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazolo[1,5-a]quinolin-3-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 129040223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).