5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C10H16ClN3O2 — CID 106957071

IUPAC5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(CC1CCCO1)c1nnc(CCCl)o1
InChIInChI=1S/C10H16ClN3O2/c1-14(7-8-3-2-6-15-8)10-13-12-9(16-10)4-5-11/h8H,2-7H2,1H3
InChIKeyPPVXEJRTYCGIAC-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.47
Rot. Bonds5

About 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957071) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106957071
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(CC1CCCO1)c1nnc(CCCl)o1
InChIInChI=1S/C10H16ClN3O2/c1-14(7-8-3-2-6-15-8)10-13-12-9(16-10)4-5-11/h8H,2-7H2,1H3
InChIKeyPPVXEJRTYCGIAC-UHFFFAOYSA-N
XLogP1.47
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970695
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine
CID 131926915
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
N-ethyl-2-[5-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65159948
5-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957378
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79893343
1-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
CID 106957421
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106957071) is 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CN(CC1CCCO1)c1nnc(CCCl)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PPVXEJRTYCGIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-14(7-8-3-2-6-15-8)10-13-12-9(16-10)4-5-11/h8H,2-7H2,1H3.
What are the key properties of 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 245.71 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).