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

C17H13Cl2N3O — CID 58076920

IUPAC5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESClc1cc(Cl)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C17H13Cl2N3O/c18-11-7-12(19)9-13(8-11)22-6-4-16-15(10-22)21-17(23-16)14-3-1-2-5-20-14/h1-3,5,7-9H,4,6,10H2
InChIKeyDNEODEWAFWBIFD-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.61
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 58076920) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID58076920
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESClc1cc(Cl)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C17H13Cl2N3O/c18-11-7-12(19)9-13(8-11)22-6-4-16-15(10-22)21-17(23-16)14-3-1-2-5-20-14/h1-3,5,7-9H,4,6,10H2
InChIKeyDNEODEWAFWBIFD-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-(3,5-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
5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 46932860
5-(2,3-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58077273
5-(5-fluoro-2-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076728
5-(3-chlorophenyl)-2-(4-methylpyrazin-4-ium-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 91233354
2-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58076800
2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile
CID 58076999
2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
CID 58077170
2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile
CID 66706210
5-(3-fluoro-5-methylphenyl)-8-methyl-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine
CID 58077276
3-(2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-5-yl)-5-(trifluoromethyl)benzonitrile
CID 66706248
2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82294059

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 58076920) is 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Clc1cc(Cl)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is DNEODEWAFWBIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-11-7-12(19)9-13(8-11)22-6-4-16-15(10-22)21-17(23-16)14-3-1-2-5-20-14/h1-3,5,7-9H,4,6,10H2.
What are the key properties of 5-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(3,5-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-(3,5-dichlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58076920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).