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

C25H23N3O — CID 25288522

IUPAC3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(C(c2ccccc2)c2noc3c2CN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C25H23N3O/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)25-22-18-28(15-13-23(22)29-27-25)17-19-8-7-14-26-16-19/h1-12,14,16,24H,13,15,17-18H2
InChIKeyXSKNZFCCUNSXNJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.81
Rot. Bonds5

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

3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 25288522) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID25288522
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(C(c2ccccc2)c2noc3c2CN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C25H23N3O/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)25-22-18-28(15-13-23(22)29-27-25)17-19-8-7-14-26-16-19/h1-12,14,16,24H,13,15,17-18H2
InChIKeyXSKNZFCCUNSXNJ-UHFFFAOYSA-N
XLogP4.81
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 25288522) is 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is c1ccc(C(c2ccccc2)c2noc3c2CN(Cc2cccnc2)CC3)cc1.
What is the InChIKey of 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is XSKNZFCCUNSXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)25-22-18-28(15-13-23(22)29-27-25)17-19-8-7-14-26-16-19/h1-12,14,16,24H,13,15,17-18H2.
What are the key properties of 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 381.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 25288522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).