3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

C17H23ClN4O2 — CID 120760332

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN2C[C@@H](N)[C@H](c3ccccc3)C2)no1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-9-16(20-23-12)19-17(22)7-8-21-10-14(15(18)11-21)13-5-3-2-4-6-13;/h2-6,9,14-15H,7-8,10-11,18H2,1H3,(H,19,20,22);1H/t14-,15+;/m0./s1
InChIKeyDPVSWNVCBBUECS-LDXVYITESA-N
MW350.85 g/mol
LogP2.16
Rot. Bonds5

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (PubChem CID 120760332) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
PubChem CID120760332
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN2C[C@@H](N)[C@H](c3ccccc3)C2)no1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-9-16(20-23-12)19-17(22)7-8-21-10-14(15(18)11-21)13-5-3-2-4-6-13;/h2-6,9,14-15H,7-8,10-11,18H2,1H3,(H,19,20,22);1H/t14-,15+;/m0./s1
InChIKeyDPVSWNVCBBUECS-LDXVYITESA-N
XLogP2.16
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
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3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromophenyl)propanamide
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3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,6-dichlorophenyl)propanamide
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3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-nitrophenyl)propanamide;hydrochloride
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3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
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3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (CID 120760332) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is Cc1cc(NC(=O)CCN2C[C@@H](N)[C@H](c3ccccc3)C2)no1.Cl.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The InChIKey is DPVSWNVCBBUECS-LDXVYITESA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-12-9-16(20-23-12)19-17(22)7-8-21-10-14(15(18)11-21)13-5-3-2-4-6-13;/h2-6,9,14-15H,7-8,10-11,18H2,1H3,(H,19,20,22);1H/t14-,15+;/m0./s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120760332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).