methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate

C19H29N3O4 — CID 170510282

IUPACmethyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N1CCc2oc(CCC(C)C)nc2C1
InChIInChI=1S/C19H29N3O4/c1-13(2)7-8-17-20-14-12-21(11-9-16(14)26-17)18(23)15-6-4-5-10-22(15)19(24)25-3/h13,15H,4-12H2,1-3H3
InChIKeyBAFNRXOURYKZQT-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate

methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate (PubChem CID 170510282) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate
PubChem CID170510282
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namemethyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N1CCc2oc(CCC(C)C)nc2C1
InChIInChI=1S/C19H29N3O4/c1-13(2)7-8-17-20-14-12-21(11-9-16(14)26-17)18(23)15-6-4-5-10-22(15)19(24)25-3/h13,15H,4-12H2,1-3H3
InChIKeyBAFNRXOURYKZQT-UHFFFAOYSA-N
XLogP2.77
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate 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

3-methoxy-1-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169419723
(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170505726
(4-hydroxy-3,5-dimethoxyphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507395
(2,3-dichlorophenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418475
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 170503288
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 170509582
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
[6-(dimethylamino)-3-pyridinyl]-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170504365
1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 170510010
1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421964
(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 171906944
(5-hydroxy-1,2-dimethylindol-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170503579

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate (CID 170510282) is methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)N1CCc2oc(CCC(C)C)nc2C1.
What is the InChIKey of methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate?
The InChIKey is BAFNRXOURYKZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(2)7-8-17-20-14-12-21(11-9-16(14)26-17)18(23)15-6-4-5-10-22(15)19(24)25-3/h13,15H,4-12H2,1-3H3.
What are the key properties of methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate?
methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 170510282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).