[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine

C21H22ClN3O — CID 120758591

IUPAC[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H22ClN3O/c22-18-8-6-16(7-9-18)21-10-19(26-24-21)13-25-12-17(11-23)20(14-25)15-4-2-1-3-5-15/h1-10,17,20H,11-14,23H2/t17-,20+/m1/s1
InChIKeyAZKIOUMWBRBRCV-XLIONFOSSA-N
MW367.88 g/mol
LogP4.17
Rot. Bonds5

About [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120758591) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120758591
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H22ClN3O/c22-18-8-6-16(7-9-18)21-10-19(26-24-21)13-25-12-17(11-23)20(14-25)15-4-2-1-3-5-15/h1-10,17,20H,11-14,23H2/t17-,20+/m1/s1
InChIKeyAZKIOUMWBRBRCV-XLIONFOSSA-N
XLogP4.17
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

[(3R,4R)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120759955
[(3R,4R)-1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760108
[(3R,4R)-4-phenyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967267
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
[(3R,4R)-4-phenyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120769288
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213
[(3R,4R)-4-phenyl-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120769564
[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]methanamine
CID 67233832
[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 120758748
[(3R,4R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760178

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine (CID 120758591) is [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine is NC[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is AZKIOUMWBRBRCV-XLIONFOSSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-18-8-6-16(7-9-18)21-10-19(26-24-21)13-25-12-17(11-23)20(14-25)15-4-2-1-3-5-15/h1-10,17,20H,11-14,23H2/t17-,20+/m1/s1.
What are the key properties of [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 367.88 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120758591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).