N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine

C8H14ClN3O — CID 106956306

IUPACN-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC(C)(C)C)o1
InChIInChI=1S/C8H14ClN3O/c1-5(9)6-11-12-7(13-6)10-8(2,3)4/h5H,1-4H3,(H,10,12)
InChIKeyOZHSYWPSYCGXTB-UHFFFAOYSA-N
MW203.67 g/mol
LogP2.58
Rot. Bonds2

About N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine

N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956306) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106956306
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC NameN-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC(C)(C)C)o1
InChIInChI=1S/C8H14ClN3O/c1-5(9)6-11-12-7(13-6)10-8(2,3)4/h5H,1-4H3,(H,10,12)
InChIKeyOZHSYWPSYCGXTB-UHFFFAOYSA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
5-(1-chloroethyl)-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106957939
5-(1-chloroethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958769
5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106958030
5-(1-chloroethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106958884
5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine
CID 106957513
5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
CID 106958258
5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 106958131
5-(1-chloroethyl)-N-(4-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957996
5-(1-chloroethyl)-N-(2-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106958531
5-(1-chloroethyl)-N-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106956662
2-(1-chloroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 16768064

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine (CID 106956306) is N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OZHSYWPSYCGXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O/c1-5(9)6-11-12-7(13-6)10-8(2,3)4/h5H,1-4H3,(H,10,12).
What are the key properties of N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 203.67 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).