N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C14H24N4O2 — CID 82705490

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C14H24N4O2/c1-10-8-15-5-6-18(10)9-12(19)16-13-7-11(17-20-13)14(2,3)4/h7,10,15H,5-6,8-9H2,1-4H3,(H,16,19)/t10-/m0/s1
InChIKeyWIJZBRUTSVKPLX-JTQLQIEISA-N
MW280.37 g/mol
LogP1.20
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82705490) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82705490
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C14H24N4O2/c1-10-8-15-5-6-18(10)9-12(19)16-13-7-11(17-20-13)14(2,3)4/h7,10,15H,5-6,8-9H2,1-4H3,(H,16,19)/t10-/m0/s1
InChIKeyWIJZBRUTSVKPLX-JTQLQIEISA-N
XLogP1.20
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 115486080
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33027611
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62654108
2-(4-amino-3-methylpiperidin-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79873965
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylpiperazin-1-yl)propanamide
CID 62672823
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609860

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82705490) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)Nc1cc(C(C)(C)C)no1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is WIJZBRUTSVKPLX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-8-15-5-6-18(10)9-12(19)16-13-7-11(17-20-13)14(2,3)4/h7,10,15H,5-6,8-9H2,1-4H3,(H,16,19)/t10-/m0/s1.
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82705490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).