4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole

C19H22N4O — CID 56780486

IUPAC4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1cnn(CC2CCCN2Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H22N4O/c1-15-10-20-23(11-15)13-18-8-5-9-22(18)12-17-14-24-19(21-17)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,18H,5,8-9,12-13H2,1H3
InChIKeyZXLKDPGTJCLSOI-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.51
Rot. Bonds5

About 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole

4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 56780486) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID56780486
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1cnn(CC2CCCN2Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H22N4O/c1-15-10-20-23(11-15)13-18-8-5-9-22(18)12-17-14-24-19(21-17)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,18H,5,8-9,12-13H2,1H3
InChIKeyZXLKDPGTJCLSOI-UHFFFAOYSA-N
XLogP3.51
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 56780486) is 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole is Cc1cnn(CC2CCCN2Cc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is ZXLKDPGTJCLSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-10-20-23(11-15)13-18-8-5-9-22(18)12-17-14-24-19(21-17)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,18H,5,8-9,12-13H2,1H3.
What are the key properties of 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole has a molecular weight of 322.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 56780486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).