N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide

C19H25N5O2 — CID 156607915

IUPACN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
SMILESCCc1noc(-c2ccccc2NC(=O)N2CCCN3CCCC3C2)n1
InChIInChI=1S/C19H25N5O2/c1-2-17-21-18(26-22-17)15-8-3-4-9-16(15)20-19(25)24-12-6-11-23-10-5-7-14(23)13-24/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,25)
InChIKeyLFELEJDANBIARK-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.00
Rot. Bonds3

About N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide (PubChem CID 156607915) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
PubChem CID156607915
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
SMILESCCc1noc(-c2ccccc2NC(=O)N2CCCN3CCCC3C2)n1
InChIInChI=1S/C19H25N5O2/c1-2-17-21-18(26-22-17)15-8-3-4-9-16(15)20-19(25)24-12-6-11-23-10-5-7-14(23)13-24/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,25)
InChIKeyLFELEJDANBIARK-UHFFFAOYSA-N
XLogP3.00
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-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

(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125157739
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 72868956
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 72924476
(5S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 97454468
(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 72846677
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736380
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92736384
(3-chlorophenyl)-[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908565
1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 67832171
(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1457501

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide (CID 156607915) is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide is CCc1noc(-c2ccccc2NC(=O)N2CCCN3CCCC3C2)n1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide?
The InChIKey is LFELEJDANBIARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-17-21-18(26-22-17)15-8-3-4-9-16(15)20-19(25)24-12-6-11-23-10-5-7-14(23)13-24/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,25).
What are the key properties of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide?
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 156607915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).