2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole

C34H20F2N2O — CID 166850072

IUPAC2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole
SMILESFc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7o6)cc5)cnc4c3)cc2)c1
InChIInChI=1S/C34H20F2N2O/c35-29-16-27(17-30(36)19-29)22-7-5-21(6-8-22)25-13-14-26-15-28(20-37-32(26)18-25)23-9-11-24(12-10-23)34-38-31-3-1-2-4-33(31)39-34/h1-20H
InChIKeyPYDQKDMBPXTXGA-UHFFFAOYSA-N
MW510.54 g/mol
LogP9.32
Rot. Bonds4

About 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole

2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole (PubChem CID 166850072) has the molecular formula C34H20F2N2O and a molecular weight of 510.54 g/mol. Its IUPAC name is 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole
PubChem CID166850072
Molecular FormulaC34H20F2N2O
Molecular Weight510.54 g/mol
Exact Mass510.15
IUPAC Name2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole
SMILESFc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7o6)cc5)cnc4c3)cc2)c1
InChIInChI=1S/C34H20F2N2O/c35-29-16-27(17-30(36)19-29)22-7-5-21(6-8-22)25-13-14-26-15-28(20-37-32(26)18-25)23-9-11-24(12-10-23)34-38-31-3-1-2-4-33(31)39-34/h1-20H
InChIKeyPYDQKDMBPXTXGA-UHFFFAOYSA-N
XLogP9.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

FUB-PB-22 compound
CID 91936864
1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline
CID 272358
2-(1-Isoquinolyl)-4,5-diphenyl-oxazole
CID 230513
2-(2-Methylquinolin-4-yl)-1,3-benzoxazole
CID 660271
Quinoline, 2-(2-benzoxazolyl)-
CID 723043
2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
2-(4-((Piperidin-1-yl)methyl)phenyl)benzo[d]oxazole (6a)
CID 126961644
2-(4-((4-Benzylpiperidin-1-yl)methyl)phenyl)benzo[d]oxazole (6b)
CID 126961645
2-(4-((4-Phenylpiperazine-1-yl)methyl)phenyl)benzo[d]oxazole (6h)
CID 126961651
2-(4-((4-Benzylpiperazin-1-yl)methyl)phenyl)benzo[d]oxazole (6i)
CID 126961652
6-[Ethyl(methoxy)phosphoryl]-2-quinolin-7-yl-1,3-benzoxazole
CID 156012053

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole (CID 166850072) is 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole is Fc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7o6)cc5)cnc4c3)cc2)c1.
What is the InChIKey of 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
The InChIKey is PYDQKDMBPXTXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F2N2O/c35-29-16-27(17-30(36)19-29)22-7-5-21(6-8-22)25-13-14-26-15-28(20-37-32(26)18-25)23-9-11-24(12-10-23)34-38-31-3-1-2-4-33(31)39-34/h1-20H.
What are the key properties of 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole has a molecular weight of 510.54 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[4-(3,5-difluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 166850072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).