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

C24H24N4O — CID 45239748

IUPAC3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C24H24N4O/c1-27-15-13-25-22(27)17-28-14-12-21-20(16-28)24(26-29-21)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,13,15,23H,12,14,16-17H2,1H3
InChIKeyKEBNUKXBCPCLBK-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.15
Rot. Bonds5

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

3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 45239748) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID45239748
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C24H24N4O/c1-27-15-13-25-22(27)17-28-14-12-21-20(16-28)24(26-29-21)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,13,15,23H,12,14,16-17H2,1H3
InChIKeyKEBNUKXBCPCLBK-UHFFFAOYSA-N
XLogP4.15
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 42507660
methyl 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)acetate
CID 56741039
3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 97405674
3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56751972
2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
CID 56753169
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
4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 56754033
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylethanone
CID 29209508
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
CID 95221794
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 45239748) is 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cn1ccnc1CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is KEBNUKXBCPCLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-27-15-13-25-22(27)17-28-14-12-21-20(16-28)24(26-29-21)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,13,15,23H,12,14,16-17H2,1H3.
What are the key properties of 3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 384.48 g/mol, XLogP of 4.15, 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-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 45239748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).