2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

C15H26N4O2 — CID 115486080

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC1CC(CN)CN1CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C15H26N4O2/c1-10-5-11(7-16)8-19(10)9-13(20)17-14-6-12(18-21-14)15(2,3)4/h6,10-11H,5,7-9,16H2,1-4H3,(H,17,20)
InChIKeyWTLDTNKTNHPXBW-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.58
Rot. Bonds4

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (PubChem CID 115486080) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
PubChem CID115486080
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC1CC(CN)CN1CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C15H26N4O2/c1-10-5-11(7-16)8-19(10)9-13(20)17-14-6-12(18-21-14)15(2,3)4/h6,10-11H,5,7-9,16H2,1-4H3,(H,17,20)
InChIKeyWTLDTNKTNHPXBW-UHFFFAOYSA-N
XLogP1.58
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82705490
2-(4-amino-3-methylpiperidin-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79873965
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-[(2S)-3-methyl-4-oxo-2-phenylimidazolidin-1-yl]acetamide
CID 99792194
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 115486471
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 115486420
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-bromophenyl)acetamide
CID 115486110
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62654108
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 115486329
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62654573
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 115486277
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 115486117

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (CID 115486080) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is CC1CC(CN)CN1CC(=O)Nc1cc(C(C)(C)C)no1.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is WTLDTNKTNHPXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-5-11(7-16)8-19(10)9-13(20)17-14-6-12(18-21-14)15(2,3)4/h6,10-11H,5,7-9,16H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 115486080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).