3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C22H19N3O — CID 26407648

IUPAC3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(-c2noc3c2CN(Cc2cccc4cccnc24)CC3)cc1
InChIInChI=1S/C22H19N3O/c1-2-6-17(7-3-1)22-19-15-25(13-11-20(19)26-24-22)14-18-9-4-8-16-10-5-12-23-21(16)18/h1-10,12H,11,13-15H2
InChIKeyPIGOHBJQBLTKRN-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.45
Rot. Bonds3

About 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 26407648) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID26407648
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(-c2noc3c2CN(Cc2cccc4cccnc24)CC3)cc1
InChIInChI=1S/C22H19N3O/c1-2-6-17(7-3-1)22-19-15-25(13-11-20(19)26-24-22)14-18-9-4-8-16-10-5-12-23-21(16)18/h1-10,12H,11,13-15H2
InChIKeyPIGOHBJQBLTKRN-UHFFFAOYSA-N
XLogP4.45
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-3-phenylisoxazole
CID 11582059
(R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(trifluoromethyl)phenyl)butan-2-amine
CID 46880294
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethyl)indol-1-yl]-N-hydroxyhexanamide
CID 141736086
6-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyhexanamide
CID 141736087
7-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyheptanamide
CID 141736089
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736097
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736100
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethyl)indol-1-yl]-N-hydroxyheptanamide
CID 141736101
5-methyl-3-phenyl-N,N-bis(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 2738482
4-(1-Benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 26407648) is 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is c1ccc(-c2noc3c2CN(Cc2cccc4cccnc24)CC3)cc1.
What is the InChIKey of 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is PIGOHBJQBLTKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-2-6-17(7-3-1)22-19-15-25(13-11-20(19)26-24-22)14-18-9-4-8-16-10-5-12-23-21(16)18/h1-10,12H,11,13-15H2.
What are the key properties of 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 341.41 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(quinolin-8-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 26407648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).