2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

C10H17ClN4O2 — CID 119933945

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CC[C@H](N)C2)no1.Cl
InChIInChI=1S/C10H16N4O2.ClH/c1-7-4-9(13-16-7)12-10(15)6-14-3-2-8(11)5-14;/h4,8H,2-3,5-6,11H2,1H3,(H,12,13,15);1H/t8-;/m0./s1
InChIKeyYAZQSCJMNAQPOF-QRPNPIFTSA-N
MW260.72 g/mol
LogP0.38
Rot. Bonds3

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (PubChem CID 119933945) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
PubChem CID119933945
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CC[C@H](N)C2)no1.Cl
InChIInChI=1S/C10H16N4O2.ClH/c1-7-4-9(13-16-7)12-10(15)6-14-3-2-8(11)5-14;/h4,8H,2-3,5-6,11H2,1H3,(H,12,13,15);1H/t8-;/m0./s1
InChIKeyYAZQSCJMNAQPOF-QRPNPIFTSA-N
XLogP0.38
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.38
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
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120776067
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 119904986
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (CID 119933945) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is Cc1cc(NC(=O)CN2CC[C@H](N)C2)no1.Cl.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The InChIKey is YAZQSCJMNAQPOF-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H16N4O2.ClH/c1-7-4-9(13-16-7)12-10(15)6-14-3-2-8(11)5-14;/h4,8H,2-3,5-6,11H2,1H3,(H,12,13,15);1H/t8-;/m0./s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119933945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).