(7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

C19H21N5O4 — CID 136882327

IUPAC(7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOCCc1noc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)n1
InChIInChI=1S/C19H21N5O4/c1-26-7-6-15-22-19(28-24-15)17-21-14-9-12(10-20-18(25)16(14)23-17)11-4-3-5-13(8-11)27-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,20,25)(H,21,23)/t12-/m0/s1
InChIKeyKUDYKWACTQDJRL-LBPRGKRZSA-N
MW383.41 g/mol
LogP1.73
Rot. Bonds6

About (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

(7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 136882327) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name(7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID136882327
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name(7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOCCc1noc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)n1
InChIInChI=1S/C19H21N5O4/c1-26-7-6-15-22-19(28-24-15)17-21-14-9-12(10-20-18(25)16(14)23-17)11-4-3-5-13(8-11)27-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,20,25)(H,21,23)/t12-/m0/s1
InChIKeyKUDYKWACTQDJRL-LBPRGKRZSA-N
XLogP1.73
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[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 (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 136882327) is (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is COCCc1noc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)n1.
What is the InChIKey of (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is KUDYKWACTQDJRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-7-6-15-22-19(28-24-15)17-21-14-9-12(10-20-18(25)16(14)23-17)11-4-3-5-13(8-11)27-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,20,25)(H,21,23)/t12-/m0/s1.
What are the key properties of (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
(7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 383.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 136882327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).