(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol

C20H22N4O2 — CID 97278250

IUPAC(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CCN(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H22N4O2/c25-18-14-23(13-16-7-3-1-4-8-16)11-12-24(15-18)20-21-19(22-26-20)17-9-5-2-6-10-17/h1-10,18,25H,11-15H2/t18-/m1/s1
InChIKeyWYIXTENBERBBMT-GOSISDBHSA-N
MW350.42 g/mol
LogP2.42
Rot. Bonds4

About (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol

(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol (PubChem CID 97278250) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol.

Molecular Properties

Compound Name(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol
PubChem CID97278250
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CCN(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H22N4O2/c25-18-14-23(13-16-7-3-1-4-8-16)11-12-24(15-18)20-21-19(22-26-20)17-9-5-2-6-10-17/h1-10,18,25H,11-15H2/t18-/m1/s1
InChIKeyWYIXTENBERBBMT-GOSISDBHSA-N
XLogP2.42
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol with MolForge

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Related Compounds

5-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 51131875
1-benzyl-4-pyrimidin-2-yl-1,4-diazepan-6-ol
CID 72907511
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
CID 97435614
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-oxazepan-6-yl]methanol
CID 70705763
1-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propanoyl-1,4-diazepane-6-carboxylic acid
CID 86287304
5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
(6S)-1-benzyl-4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,4-diazepan-6-ol
CID 100599650
5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 46342013
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
CID 97281064
(6R)-1-benzyl-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-6-ol
CID 99974314
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667

Frequently Asked Questions

What is the IUPAC name of (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol?
The IUPAC name of (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol (CID 97278250) is (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol.
What is the SMILES notation for (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol?
The canonical SMILES for (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol is O[C@@H]1CN(Cc2ccccc2)CCN(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol?
The InChIKey is WYIXTENBERBBMT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18-14-23(13-16-7-3-1-4-8-16)11-12-24(15-18)20-21-19(22-26-20)17-9-5-2-6-10-17/h1-10,18,25H,11-15H2/t18-/m1/s1.
What are the key properties of (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol?
(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol has a molecular weight of 350.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol is sourced from PubChem (CID 97278250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).