5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole

C22H25N3O — CID 58951438

IUPAC5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C22H25N3O/c1-16-4-3-14-25(16)15-11-21-17(2)26-22(24-21)20-7-5-18(6-8-20)19-9-12-23-13-10-19/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyMPNWEXLPNITVNZ-MRXNPFEDSA-N
MW347.46 g/mol
LogP4.74
Rot. Bonds5

About 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole

5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole (PubChem CID 58951438) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
PubChem CID58951438
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C22H25N3O/c1-16-4-3-14-25(16)15-11-21-17(2)26-22(24-21)20-7-5-18(6-8-20)19-9-12-23-13-10-19/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyMPNWEXLPNITVNZ-MRXNPFEDSA-N
XLogP4.74
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole (CID 58951438) is 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole is Cc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCC[C@H]1C.
What is the InChIKey of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
The InChIKey is MPNWEXLPNITVNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-4-3-14-25(16)15-11-21-17(2)26-22(24-21)20-7-5-18(6-8-20)19-9-12-23-13-10-19/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole has a molecular weight of 347.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 58951438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).