2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

C17H14ClN3O — CID 46932663

IUPAC2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILESClc1ccccc1-c1nc2c(o1)CN(c1ccccn1)CC2
InChIInChI=1S/C17H14ClN3O/c18-13-6-2-1-5-12(13)17-20-14-8-10-21(11-15(14)22-17)16-7-3-4-9-19-16/h1-7,9H,8,10-11H2
InChIKeyXJTAVGZRZZENBO-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.95
Rot. Bonds2

About 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 46932663) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
PubChem CID46932663
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILESClc1ccccc1-c1nc2c(o1)CN(c1ccccn1)CC2
InChIInChI=1S/C17H14ClN3O/c18-13-6-2-1-5-12(13)17-20-14-8-10-21(11-15(14)22-17)16-7-3-4-9-19-16/h1-7,9H,8,10-11H2
InChIKeyXJTAVGZRZZENBO-UHFFFAOYSA-N
XLogP3.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine with MolForge

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Related Compounds

4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86609051
5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58077273
5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58077055
2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
CID 58076714
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 46932860
6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456045
2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 131042110
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076800

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (CID 46932663) is 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is Clc1ccccc1-c1nc2c(o1)CN(c1ccccn1)CC2.
What is the InChIKey of 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is XJTAVGZRZZENBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-6-2-1-5-12(13)17-20-14-8-10-21(11-15(14)22-17)16-7-3-4-9-19-16/h1-7,9H,8,10-11H2.
What are the key properties of 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 311.77 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 46932663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).