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

C12H23N3O — CID 63348217

IUPACN-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)CCc1nc(CC(C)C)no1
InChIInChI=1S/C12H23N3O/c1-5-13-10(4)6-7-12-14-11(15-16-12)8-9(2)3/h9-10,13H,5-8H2,1-4H3
InChIKeySRVOGYDNTBTDQJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.20
Rot. Bonds7

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

N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63348217) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63348217
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)CCc1nc(CC(C)C)no1
InChIInChI=1S/C12H23N3O/c1-5-13-10(4)6-7-12-14-11(15-16-12)8-9(2)3/h9-10,13H,5-8H2,1-4H3
InChIKeySRVOGYDNTBTDQJ-UHFFFAOYSA-N
XLogP2.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 103151056
N-ethyl-4-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66066526
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
N-ethyl-4-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66088002
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 65425572
(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine
CID 97335039
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
N-ethyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347277
N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330259
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
N-ethyl-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103375313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63348217) is N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(C)CCc1nc(CC(C)C)no1.
What is the InChIKey of N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is SRVOGYDNTBTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-10(4)6-7-12-14-11(15-16-12)8-9(2)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63348217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).