7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

C17H17N5O2 — CID 135987050

IUPAC7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(-c3nnc(-c4ccccc4)o3)[nH]c2C1
InChIInChI=1S/C17H17N5O2/c1-17(2)8-11-12(14(23)18-9-17)20-13(19-11)16-22-21-15(24-16)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyANVQHLTXVXKRMV-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.44
Rot. Bonds2

About 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 135987050) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID135987050
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(-c3nnc(-c4ccccc4)o3)[nH]c2C1
InChIInChI=1S/C17H17N5O2/c1-17(2)8-11-12(14(23)18-9-17)20-13(19-11)16-22-21-15(24-16)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyANVQHLTXVXKRMV-UHFFFAOYSA-N
XLogP2.44
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 135987050) is 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC1(C)CNC(=O)c2nc(-c3nnc(-c4ccccc4)o3)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is ANVQHLTXVXKRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-17(2)8-11-12(14(23)18-9-17)20-13(19-11)16-22-21-15(24-16)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,23)(H,19,20).
What are the key properties of 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 323.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 135987050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).