1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine

C14H20N4O3S — CID 120875109

IUPAC1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(NC)CC3)cc12
InChIInChI=1S/C14H20N4O3S/c1-3-13-12-8-11(9-16-14(12)21-17-13)22(19,20)18-6-4-10(15-2)5-7-18/h8-10,15H,3-7H2,1-2H3
InChIKeyGHTNQDSWNAIDGB-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.16
Rot. Bonds4

About 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine

1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine (PubChem CID 120875109) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
PubChem CID120875109
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(NC)CC3)cc12
InChIInChI=1S/C14H20N4O3S/c1-3-13-12-8-11(9-16-14(12)21-17-13)22(19,20)18-6-4-10(15-2)5-7-18/h8-10,15H,3-7H2,1-2H3
InChIKeyGHTNQDSWNAIDGB-UHFFFAOYSA-N
XLogP1.16
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine (CID 120875109) is 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine is CCc1noc2ncc(S(=O)(=O)N3CCC(NC)CC3)cc12.
What is the InChIKey of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine?
The InChIKey is GHTNQDSWNAIDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-3-13-12-8-11(9-16-14(12)21-17-13)22(19,20)18-6-4-10(15-2)5-7-18/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine?
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine has a molecular weight of 324.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-N-methylpiperidin-4-amine is sourced from PubChem (CID 120875109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).