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

C17H13Cl2N3O — CID 58077273

IUPAC5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESClc1cccc(N2CCc3oc(-c4ccccn4)nc3C2)c1Cl
InChIInChI=1S/C17H13Cl2N3O/c18-11-4-3-6-14(16(11)19)22-9-7-15-13(10-22)21-17(23-15)12-5-1-2-8-20-12/h1-6,8H,7,9-10H2
InChIKeyNNNJQIVAYGEMRA-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.61
Rot. Bonds2

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

5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 58077273) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID58077273
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESClc1cccc(N2CCc3oc(-c4ccccn4)nc3C2)c1Cl
InChIInChI=1S/C17H13Cl2N3O/c18-11-4-3-6-14(16(11)19)22-9-7-15-13(10-22)21-17(23-15)12-5-1-2-8-20-12/h1-6,8H,7,9-10H2
InChIKeyNNNJQIVAYGEMRA-UHFFFAOYSA-N
XLogP4.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58077055
2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076800
5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076920
2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile
CID 58076999
5-(5-fluoro-2-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076728
5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 46932860
2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
CID 58077170
5-(3-chlorophenyl)-2-(4-methylpyrazin-4-ium-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 91233354
2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
CID 46932663
2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82294059
2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile
CID 66706210
2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 46932863

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 58077273) is 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Clc1cccc(N2CCc3oc(-c4ccccn4)nc3C2)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is NNNJQIVAYGEMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-11-4-3-6-14(16(11)19)22-9-7-15-13(10-22)21-17(23-15)12-5-1-2-8-20-12/h1-6,8H,7,9-10H2.
What are the key properties of 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 346.22 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58077273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).