[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

C22H22N2O3 — CID 59170199

IUPAC[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCC[C@@H]2C(O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-9-11-17(12-10-15)21-18(14-23-27-21)22(26)24-13-5-8-19(24)20(25)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19-20,25H,5,8,13H2,1H3/t19-,20?/m1/s1
InChIKeyVYGHZOWGDQQTCL-FIWHBWSRSA-N
MW362.43 g/mol
LogP3.99
Rot. Bonds4

About [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 59170199) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID59170199
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCC[C@@H]2C(O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-9-11-17(12-10-15)21-18(14-23-27-21)22(26)24-13-5-8-19(24)20(25)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19-20,25H,5,8,13H2,1H3/t19-,20?/m1/s1
InChIKeyVYGHZOWGDQQTCL-FIWHBWSRSA-N
XLogP3.99
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170240
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 110647508
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126820795
[2-[hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(2-phenylethylamino)pyrimidin-5-yl]methanone
CID 91346615
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
[5-(3,4-dimethylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-(2-hydroxypropan-2-yl)-2-iodopiperidin-1-yl]methanone
CID 68735465
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 24809861
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[2-(benzylamino)-4-(4-chlorophenyl)pyrimidin-5-yl]-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 11237600
N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
CID 110649624

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (CID 59170199) is [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is Cc1ccc(-c2oncc2C(=O)N2CCC[C@@H]2C(O)c2ccccc2)cc1.
What is the InChIKey of [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is VYGHZOWGDQQTCL-FIWHBWSRSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-9-11-17(12-10-15)21-18(14-23-27-21)22(26)24-13-5-8-19(24)20(25)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19-20,25H,5,8,13H2,1H3/t19-,20?/m1/s1.
What are the key properties of [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 59170199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).