4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

C15H20N2O — CID 117363098

IUPAC4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ccc(CC3CCCN3)cc2)=N1
InChIInChI=1S/C15H20N2O/c1-11-10-18-15(17-11)13-6-4-12(5-7-13)9-14-3-2-8-16-14/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyYMBBYOHRRCZPFW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 117363098) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID117363098
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ccc(CC3CCCN3)cc2)=N1
InChIInChI=1S/C15H20N2O/c1-11-10-18-15(17-11)13-6-4-12(5-7-13)9-14-3-2-8-16-14/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyYMBBYOHRRCZPFW-UHFFFAOYSA-N
XLogP2.15
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 22006286
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
CID 117377105

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 117363098) is 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is CC1COC(c2ccc(CC3CCCN3)cc2)=N1.
What is the InChIKey of 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is YMBBYOHRRCZPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-10-18-15(17-11)13-6-4-12(5-7-13)9-14-3-2-8-16-14/h4-7,11,14,16H,2-3,8-10H2,1H3.
What are the key properties of 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 244.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 117363098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).