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

C22H22N2O3 — CID 59170240

IUPAC[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCCC2C(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
InChIKeyVYGHZOWGDQQTCL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.99
Rot. Bonds4

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

[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 59170240) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID59170240
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCCC2C(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
InChIKeyVYGHZOWGDQQTCL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (CID 59170240) is [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is Cc1ccc(-c2oncc2C(=O)N2CCCC2C(O)c2ccccc2)cc1.
What is the InChIKey of [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is VYGHZOWGDQQTCL-UHFFFAOYSA-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.
What are the key properties of [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
[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 [2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 59170240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).