[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine

C15H22N4O4S — CID 120876154

IUPAC[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(OC)CC3CN)cc12
InChIInChI=1S/C15H22N4O4S/c1-3-14-13-7-12(9-17-15(13)23-18-14)24(20,21)19-5-4-11(22-2)6-10(19)8-16/h7,9-11H,3-6,8,16H2,1-2H3
InChIKeyIVZSUIHPBQVBHB-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.91
Rot. Bonds5

About [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine

[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 120876154) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID120876154
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(OC)CC3CN)cc12
InChIInChI=1S/C15H22N4O4S/c1-3-14-13-7-12(9-17-15(13)23-18-14)24(20,21)19-5-4-11(22-2)6-10(19)8-16/h7,9-11H,3-6,8,16H2,1-2H3
InChIKeyIVZSUIHPBQVBHB-UHFFFAOYSA-N
XLogP0.91
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine 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

[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 120874752
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
CID 120875109
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120877024
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718928
[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
CID 112622437
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 75507090
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718968
4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 120718793
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
CID 165460191
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine (CID 120876154) is [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine is CCc1noc2ncc(S(=O)(=O)N3CCC(OC)CC3CN)cc12.
What is the InChIKey of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is IVZSUIHPBQVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-3-14-13-7-12(9-17-15(13)23-18-14)24(20,21)19-5-4-11(22-2)6-10(19)8-16/h7,9-11H,3-6,8,16H2,1-2H3.
What are the key properties of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 354.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 120876154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).