3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C25H26N4O — CID 42507660

IUPAC3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1c(CN2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)cnn1C
InChIInChI=1S/C25H26N4O/c1-18-21(15-26-28(18)2)16-29-14-13-23-22(17-29)25(27-30-23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,24H,13-14,16-17H2,1-2H3
InChIKeyQHZNSWMDUMDVPT-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.46
Rot. Bonds5

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

3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 42507660) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID42507660
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1c(CN2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)cnn1C
InChIInChI=1S/C25H26N4O/c1-18-21(15-26-28(18)2)16-29-14-13-23-22(17-29)25(27-30-23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,24H,13-14,16-17H2,1-2H3
InChIKeyQHZNSWMDUMDVPT-UHFFFAOYSA-N
XLogP4.46
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 45239748
2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
CID 56753169
methyl 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)acetate
CID 56741039
3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56751972
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56747001
2-amino-1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56751609
(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
CID 95221794
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylethanone
CID 29209508
4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 56754033
5-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56757738
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
3-(1,3-benzodioxol-5-yl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42511763

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 42507660) is 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1c(CN2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)cnn1C.
What is the InChIKey of 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is QHZNSWMDUMDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-21(15-26-28(18)2)16-29-14-13-23-22(17-29)25(27-30-23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,24H,13-14,16-17H2,1-2H3.
What are the key properties of 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 398.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 42507660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).