1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one

C15H18N4O2 — CID 47069601

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESCc1noc(CN2CCNC(=O)CC2c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-17-15(21-18-11)10-19-8-7-16-14(20)9-13(19)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,20)
InChIKeyAISAUWBIQUEEGT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.44
Rot. Bonds3

About 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one (PubChem CID 47069601) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
PubChem CID47069601
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESCc1noc(CN2CCNC(=O)CC2c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-17-15(21-18-11)10-19-8-7-16-14(20)9-13(19)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,20)
InChIKeyAISAUWBIQUEEGT-UHFFFAOYSA-N
XLogP1.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one (CID 47069601) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one is Cc1noc(CN2CCNC(=O)CC2c2ccccc2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The InChIKey is AISAUWBIQUEEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-17-15(21-18-11)10-19-8-7-16-14(20)9-13(19)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,20).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one has a molecular weight of 286.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 47069601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).