3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

C19H26N4O2 — CID 139013057

IUPAC3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCC1CN(C)c2ccccc2CN1C(=O)Nc1cc(C(C)C)on1
InChIInChI=1S/C19H26N4O2/c1-5-15-12-22(4)16-9-7-6-8-14(16)11-23(15)19(24)20-18-10-17(13(2)3)25-21-18/h6-10,13,15H,5,11-12H2,1-4H3,(H,20,21,24)
InChIKeyGLNJRNCBXJWLRS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.06
Rot. Bonds3

About 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (PubChem CID 139013057) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
PubChem CID139013057
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCC1CN(C)c2ccccc2CN1C(=O)Nc1cc(C(C)C)on1
InChIInChI=1S/C19H26N4O2/c1-5-15-12-22(4)16-9-7-6-8-14(16)11-23(15)19(24)20-18-10-17(13(2)3)25-21-18/h6-10,13,15H,5,11-12H2,1-4H3,(H,20,21,24)
InChIKeyGLNJRNCBXJWLRS-UHFFFAOYSA-N
XLogP4.06
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide 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-[6-(dimethylamino)-2-pyridinyl]-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 167961614
3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 138998247
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone
CID 71921917
3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 126795905
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(oxolan-2-yl)methanone
CID 71972375
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71921913
3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 146130096
1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea
CID 97053886
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(4-methylmorpholin-2-yl)methanone
CID 71921912
3-[2-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2-oxoethyl]-5-methyl-1,3,4-oxadiazol-2-one
CID 146108856
[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 96537687
[5-(aminomethyl)furan-2-yl]-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone
CID 97325252

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (CID 139013057) is 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is CCC1CN(C)c2ccccc2CN1C(=O)Nc1cc(C(C)C)on1.
What is the InChIKey of 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is GLNJRNCBXJWLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-15-12-22(4)16-9-7-6-8-14(16)11-23(15)19(24)20-18-10-17(13(2)3)25-21-18/h6-10,13,15H,5,11-12H2,1-4H3,(H,20,21,24).
What are the key properties of 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 139013057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).