1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C16H25N5O4S — CID 120864866

IUPAC1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C16H25N5O4S/c1-10(17-4)9-14-18-16(25-20-14)13-5-7-21(8-6-13)26(22,23)15-11(2)19-24-12(15)3/h10,13,17H,5-9H2,1-4H3
InChIKeyOYOVAPLCGXSDHO-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.39
Rot. Bonds6

About 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120864866) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120864866
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Name1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C16H25N5O4S/c1-10(17-4)9-14-18-16(25-20-14)13-5-7-21(8-6-13)26(22,23)15-11(2)19-24-12(15)3/h10,13,17H,5-9H2,1-4H3
InChIKeyOYOVAPLCGXSDHO-UHFFFAOYSA-N
XLogP1.39
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

1-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866304
1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868560
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115077206
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[5-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866988
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745
2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120867629
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120864866) is 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1.
What is the InChIKey of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is OYOVAPLCGXSDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-10(17-4)9-14-18-16(25-20-14)13-5-7-21(8-6-13)26(22,23)15-11(2)19-24-12(15)3/h10,13,17H,5-9H2,1-4H3.
What are the key properties of 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 383.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120864866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).