N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C10H11ClN4O — CID 66474905

IUPACN-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2ccncc2Cl)o1
InChIInChI=1S/C10H11ClN4O/c1-2-12-6-9-14-15-10(16-9)7-3-4-13-5-8(7)11/h3-5,12H,2,6H2,1H3
InChIKeyUYWGLPHESYLQHR-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.89
Rot. Bonds4

About N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 66474905) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID66474905
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC NameN-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2ccncc2Cl)o1
InChIInChI=1S/C10H11ClN4O/c1-2-12-6-9-14-15-10(16-9)7-3-4-13-5-8(7)11/h3-5,12H,2,6H2,1H3
InChIKeyUYWGLPHESYLQHR-UHFFFAOYSA-N
XLogP1.89
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
CID 66463788
N-[[5-(2-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 114026372
1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 66473095
N-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 79756384
N-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 79206848
N-[[5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137552
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 60685576
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 110652114
2-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043736
2-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043927
N-[[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81461380

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 66474905) is N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(-c2ccncc2Cl)o1.
What is the InChIKey of N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is UYWGLPHESYLQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-2-12-6-9-14-15-10(16-9)7-3-4-13-5-8(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 238.68 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66474905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).