1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine

C14H27N3O — CID 63718564

IUPAC1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nc(C(C)CC)no1)C(C)(C)C
InChIInChI=1S/C14H27N3O/c1-7-10(3)13-16-12(18-17-13)9-11(15-8-2)14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyWFAZSQYNZJGNGE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds6

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

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 63718564) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID63718564
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nc(C(C)CC)no1)C(C)(C)C
InChIInChI=1S/C14H27N3O/c1-7-10(3)13-16-12(18-17-13)9-11(15-8-2)14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyWFAZSQYNZJGNGE-UHFFFAOYSA-N
XLogP3.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347289
3,3-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347721
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
CID 63717824
N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201851
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 79604811
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347420
1-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 116704244
N-ethyl-3,3-dimethyl-1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352564
N-ethyl-3,3-dimethyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103476847
N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348436
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
CID 103151068

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine (CID 63718564) is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(Cc1nc(C(C)CC)no1)C(C)(C)C.
What is the InChIKey of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is WFAZSQYNZJGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-10(3)13-16-12(18-17-13)9-11(15-8-2)14(4,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 63718564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).