2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

C17H19N5O4 — CID 110210061

IUPAC2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCc1noc(CCCNC(=O)CC2NC(=O)c3ccccc3NC2=O)n1
InChIInChI=1S/C17H19N5O4/c1-10-19-15(26-22-10)7-4-8-18-14(23)9-13-17(25)20-12-6-3-2-5-11(12)16(24)21-13/h2-3,5-6,13H,4,7-9H2,1H3,(H,18,23)(H,20,25)(H,21,24)
InChIKeyQTOODWDXXVBEFH-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.57
Rot. Bonds6

About 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide (PubChem CID 110210061) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
PubChem CID110210061
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCc1noc(CCCNC(=O)CC2NC(=O)c3ccccc3NC2=O)n1
InChIInChI=1S/C17H19N5O4/c1-10-19-15(26-22-10)7-4-8-18-14(23)9-13-17(25)20-12-6-3-2-5-11(12)16(24)21-13/h2-3,5-6,13H,4,7-9H2,1H3,(H,18,23)(H,20,25)(H,21,24)
InChIKeyQTOODWDXXVBEFH-UHFFFAOYSA-N
XLogP0.57
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 135639849
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110206479
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 39377848
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 51841888
methyl 3-[[2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetyl]amino]propanoate
CID 51837341
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 98207379
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 39378099
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide
CID 51842003
N-benzyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829877
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 110210112
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 127253065
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 135639814

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide (CID 110210061) is 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide is Cc1noc(CCCNC(=O)CC2NC(=O)c3ccccc3NC2=O)n1.
What is the InChIKey of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The InChIKey is QTOODWDXXVBEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-10-19-15(26-22-10)7-4-8-18-14(23)9-13-17(25)20-12-6-3-2-5-11(12)16(24)21-13/h2-3,5-6,13H,4,7-9H2,1H3,(H,18,23)(H,20,25)(H,21,24).
What are the key properties of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 110210061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).