1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine

C14H25N3O2 — CID 116733466

IUPAC1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
SMILESCCOC(c1noc(CC(NC)C(C)C)n1)C1CC1
InChIInChI=1S/C14H25N3O2/c1-5-18-13(10-6-7-10)14-16-12(19-17-14)8-11(15-4)9(2)3/h9-11,13,15H,5-8H2,1-4H3
InChIKeyNLVHTMBBEPHWQU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

About 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine

1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine (PubChem CID 116733466) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
PubChem CID116733466
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
SMILESCCOC(c1noc(CC(NC)C(C)C)n1)C1CC1
InChIInChI=1S/C14H25N3O2/c1-5-18-13(10-6-7-10)14-16-12(19-17-14)8-11(15-4)9(2)3/h9-11,13,15H,5-8H2,1-4H3
InChIKeyNLVHTMBBEPHWQU-UHFFFAOYSA-N
XLogP2.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
CID 86820610
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclopentanecarboxamide
CID 72019459
3-Methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103145958
2-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103150997
N,3,3-trimethyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103150999
1-cyclopropyl-N-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103151004
N-ethyl-3-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103151017
N,3-dimethyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103151018
N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103151021
N-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103151022
N,4-dimethyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103151027
1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103151028

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine (CID 116733466) is 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine is CCOC(c1noc(CC(NC)C(C)C)n1)C1CC1.
What is the InChIKey of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The InChIKey is NLVHTMBBEPHWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-18-13(10-6-7-10)14-16-12(19-17-14)8-11(15-4)9(2)3/h9-11,13,15H,5-8H2,1-4H3.
What are the key properties of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 116733466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).