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

C18H24ClN3O2 — CID 120747146

IUPAC[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride
SMILESCc1noc(C(C)C)c1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-11(2)17-16(12(3)20-23-17)18(22)21-9-14(15(19)10-21)13-7-5-4-6-8-13;/h4-8,11,14-15H,9-10,19H2,1-3H3;1H/t14-,15+;/m0./s1
InChIKeyFUEAWDKZISRPQP-LDXVYITESA-N
MW349.86 g/mol
LogP3.10
Rot. Bonds3

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

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride (PubChem CID 120747146) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride
PubChem CID120747146
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride
SMILESCc1noc(C(C)C)c1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-11(2)17-16(12(3)20-23-17)18(22)21-9-14(15(19)10-21)13-7-5-4-6-8-13;/h4-8,11,14-15H,9-10,19H2,1-3H3;1H/t14-,15+;/m0./s1
InChIKeyFUEAWDKZISRPQP-LDXVYITESA-N
XLogP3.10
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 120748897
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 120747184
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 120746721
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 120747193
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120746910
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 120750144
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one;hydrochloride
CID 120747473
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 120747963

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride?
The IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride (CID 120747146) is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride is Cc1noc(C(C)C)c1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride?
The InChIKey is FUEAWDKZISRPQP-LDXVYITESA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-11(2)17-16(12(3)20-23-17)18(22)21-9-14(15(19)10-21)13-7-5-4-6-8-13;/h4-8,11,14-15H,9-10,19H2,1-3H3;1H/t14-,15+;/m0./s1.
What are the key properties of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride?
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120747146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).