oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone

C23H28N2O2 — CID 134704589

IUPACoxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCCN(Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(22-12-6-17-27-22)25-14-7-13-24(15-16-25)18-20-10-4-5-11-21(20)19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2
InChIKeyICKDNRDMGAXVHL-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.57
Rot. Bonds4

About oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone

oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 134704589) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID134704589
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Nameoxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCCN(Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(22-12-6-17-27-22)25-14-7-13-24(15-16-25)18-20-10-4-5-11-21(20)19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2
InChIKeyICKDNRDMGAXVHL-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone
CID 138385577
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134714404
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55573164
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone (CID 134704589) is oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone is O=C(C1CCCO1)N1CCCN(Cc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is ICKDNRDMGAXVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(22-12-6-17-27-22)25-14-7-13-24(15-16-25)18-20-10-4-5-11-21(20)19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2.
What are the key properties of oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134704589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).