[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone

C18H21N5O3 — CID 97442834

IUPAC[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
SMILESCN1CCCN(C(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)CC1
InChIInChI=1S/C18H21N5O3/c1-21-6-3-7-22(9-8-21)18(25)16-20-14-11-23(12-15(14)26-16)17(24)13-4-2-5-19-10-13/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeyOAKAEQDIMMEDCP-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.00
Rot. Bonds2

About [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone

[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone (PubChem CID 97442834) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
PubChem CID97442834
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
SMILESCN1CCCN(C(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)CC1
InChIInChI=1S/C18H21N5O3/c1-21-6-3-7-22(9-8-21)18(25)16-20-14-11-23(12-15(14)26-16)17(24)13-4-2-5-19-10-13/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeyOAKAEQDIMMEDCP-UHFFFAOYSA-N
XLogP1.00
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone 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 [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone (CID 97442834) is [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone is CN1CCCN(C(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)CC1.
What is the InChIKey of [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone?
The InChIKey is OAKAEQDIMMEDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-21-6-3-7-22(9-8-21)18(25)16-20-14-11-23(12-15(14)26-16)17(24)13-4-2-5-19-10-13/h2,4-5,10H,3,6-9,11-12H2,1H3.
What are the key properties of [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone?
[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone has a molecular weight of 355.40 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97442834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).