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

C9H14ClN3O — CID 106956840

IUPAC5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(N(C)CC2CC2)o1
InChIInChI=1S/C9H14ClN3O/c1-6(10)8-11-12-9(14-8)13(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWJRQGEPRKFIEBJ-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.22
Rot. Bonds4

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

5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106956840) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106956840
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(N(C)CC2CC2)o1
InChIInChI=1S/C9H14ClN3O/c1-6(10)8-11-12-9(14-8)13(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWJRQGEPRKFIEBJ-UHFFFAOYSA-N
XLogP2.22
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957704
5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957580
5-(1-chloroethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958199
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
5-(1-chloroethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106958009
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957705
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide
CID 106958431
5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106958030
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397
N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106963293
2-(1-chloroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 16768064

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106956840) is 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(N(C)CC2CC2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is WJRQGEPRKFIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(10)8-11-12-9(14-8)13(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 215.68 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).