3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol

C22H24N2O2 — CID 56740600

IUPAC3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol
SMILESOCCCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H24N2O2/c25-15-7-13-24-14-12-20-19(16-24)22(23-26-20)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,21,25H,7,12-16H2
InChIKeyWHWBAVLAYZBWOE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.60
Rot. Bonds6

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

3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol (PubChem CID 56740600) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol
PubChem CID56740600
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol
SMILESOCCCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H24N2O2/c25-15-7-13-24-14-12-20-19(16-24)22(23-26-20)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,21,25H,7,12-16H2
InChIKeyWHWBAVLAYZBWOE-UHFFFAOYSA-N
XLogP3.60
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol?
The IUPAC name of 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol (CID 56740600) is 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol is OCCCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol?
The InChIKey is WHWBAVLAYZBWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-15-7-13-24-14-12-20-19(16-24)22(23-26-20)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,21,25H,7,12-16H2.
What are the key properties of 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol?
3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol has a molecular weight of 348.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-ol is sourced from PubChem (CID 56740600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).