5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

C9H14ClN3O2 — CID 106957263

IUPAC5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(NCCC2CCCO2)o1
InChIInChI=1S/C9H14ClN3O2/c10-6-8-12-13-9(15-8)11-4-3-7-2-1-5-14-7/h7H,1-6H2,(H,11,13)
InChIKeyLJNMZNCKBURLHB-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.79
Rot. Bonds5

About 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106957263) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106957263
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(NCCC2CCCO2)o1
InChIInChI=1S/C9H14ClN3O2/c10-6-8-12-13-9(15-8)11-4-3-7-2-1-5-14-7/h7H,1-6H2,(H,11,13)
InChIKeyLJNMZNCKBURLHB-UHFFFAOYSA-N
XLogP1.79
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.79
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

5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959364
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969861
N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967300
5-(2-chloroethyl)-N-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106956817
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601297
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507708
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63952195

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106957263) is 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is ClCc1nnc(NCCC2CCCO2)o1.
What is the InChIKey of 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LJNMZNCKBURLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-6-8-12-13-9(15-8)11-4-3-7-2-1-5-14-7/h7H,1-6H2,(H,11,13).
What are the key properties of 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 231.68 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).