N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide

C22H25N5O4 — CID 90713266

IUPACN-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide
SMILESCOc1cc2c(cc1OC)C(c1ccc(NC(C)=O)cc1)=NN(C1=NCON1)C(C)C2
InChIInChI=1S/C22H25N5O4/c1-13-9-16-10-19(29-3)20(30-4)11-18(16)21(25-27(13)22-23-12-31-26-22)15-5-7-17(8-6-15)24-14(2)28/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyIOOXRYDVJUVZIF-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.51
Rot. Bonds4

About N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide

N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide (PubChem CID 90713266) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide
PubChem CID90713266
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide
SMILESCOc1cc2c(cc1OC)C(c1ccc(NC(C)=O)cc1)=NN(C1=NCON1)C(C)C2
InChIInChI=1S/C22H25N5O4/c1-13-9-16-10-19(29-3)20(30-4)11-18(16)21(25-27(13)22-23-12-31-26-22)15-5-7-17(8-6-15)24-14(2)28/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyIOOXRYDVJUVZIF-UHFFFAOYSA-N
XLogP2.51
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide 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 N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide (CID 90713266) is N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide is COc1cc2c(cc1OC)C(c1ccc(NC(C)=O)cc1)=NN(C1=NCON1)C(C)C2.
What is the InChIKey of N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide?
The InChIKey is IOOXRYDVJUVZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-13-9-16-10-19(29-3)20(30-4)11-18(16)21(25-27(13)22-23-12-31-26-22)15-5-7-17(8-6-15)24-14(2)28/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,26)(H,24,28).
What are the key properties of N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide?
N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-dihydro-1,2,4-oxadiazol-3-yl)-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepin-1-yl]phenyl]acetamide is sourced from PubChem (CID 90713266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).