2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide

C14H26N4O2 — CID 37269431

IUPAC2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H26N4O2/c1-9(2)15-11(19)8-18(7)10(3)12-16-13(17-20-12)14(4,5)6/h9-10H,8H2,1-7H3,(H,15,19)/t10-/m0/s1
InChIKeySZUZDHCGQMVERT-JTQLQIEISA-N
MW282.39 g/mol
LogP1.88
Rot. Bonds5

About 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide

2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 37269431) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID37269431
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H26N4O2/c1-9(2)15-11(19)8-18(7)10(3)12-16-13(17-20-12)14(4,5)6/h9-10H,8H2,1-7H3,(H,15,19)/t10-/m0/s1
InChIKeySZUZDHCGQMVERT-JTQLQIEISA-N
XLogP1.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

3-Methyl-5-piperazin-2-yl-1,2,4-oxadiazole
CID 14742608
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 28063751
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)piperazine
CID 14742613
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43109733
3-Ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 42946511
4-[3-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-2-one
CID 45817507
3-Ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 47022418
N-(2-methoxyethyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 47022638
N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 47084602

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide (CID 37269431) is 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)[C@@H](C)c1nc(C(C)(C)C)no1.
What is the InChIKey of 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is SZUZDHCGQMVERT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26N4O2/c1-9(2)15-11(19)8-18(7)10(3)12-16-13(17-20-12)14(4,5)6/h9-10H,8H2,1-7H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 282.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 37269431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).