2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone

C10H15ClN4O2 — CID 106958394

IUPAC2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1nnc(CCl)o1)N1CCCCC1
InChIInChI=1S/C10H15ClN4O2/c11-6-8-13-14-10(17-8)12-7-9(16)15-4-2-1-3-5-15/h1-7H2,(H,12,14)
InChIKeySXMRJPNJJFJWNU-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.23
Rot. Bonds4

About 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone

2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone (PubChem CID 106958394) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone
PubChem CID106958394
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1nnc(CCl)o1)N1CCCCC1
InChIInChI=1S/C10H15ClN4O2/c11-6-8-13-14-10(17-8)12-7-9(16)15-4-2-1-3-5-15/h1-7H2,(H,12,14)
InChIKeySXMRJPNJJFJWNU-UHFFFAOYSA-N
XLogP1.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 178127754
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]-1-morpholin-4-ylethanone
CID 166241940
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106958406
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115643786
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
CID 115677808
2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 114600755
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
CID 171631786
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone (CID 106958394) is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone is O=C(CNc1nnc(CCl)o1)N1CCCCC1.
What is the InChIKey of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone?
The InChIKey is SXMRJPNJJFJWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c11-6-8-13-14-10(17-8)12-7-9(16)15-4-2-1-3-5-15/h1-7H2,(H,12,14).
What are the key properties of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone?
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone has a molecular weight of 258.71 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 106958394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).