3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H20N4O2 — CID 62063401

IUPAC3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCC(CN)C2)no1
InChIInChI=1S/C12H20N4O2/c1-9-6-11(15-18-9)14-12(17)3-5-16-4-2-10(7-13)8-16/h6,10H,2-5,7-8,13H2,1H3,(H,14,15,17)
InChIKeyGJGVUCZQELOBEH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.59
Rot. Bonds5

About 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 62063401) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID62063401
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCC(CN)C2)no1
InChIInChI=1S/C12H20N4O2/c1-9-6-11(15-18-9)14-12(17)3-5-16-4-2-10(7-13)8-16/h6,10H,2-5,7-8,13H2,1H3,(H,14,15,17)
InChIKeyGJGVUCZQELOBEH-UHFFFAOYSA-N
XLogP0.59
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
3-(4-hydroxy-3-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 114681223
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120728104
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
N-(2-aminoethyl)-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidine-3-carboxamide
CID 119916883
3-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 86771058
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 81491262
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 62063401) is 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN2CCC(CN)C2)no1.
What is the InChIKey of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is GJGVUCZQELOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-6-11(15-18-9)14-12(17)3-5-16-4-2-10(7-13)8-16/h6,10H,2-5,7-8,13H2,1H3,(H,14,15,17).
What are the key properties of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 62063401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).