4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole

C15H20N2O2 — CID 115061820

IUPAC4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2COC(C3CCCN3)=N2)cc1
InChIInChI=1S/C15H20N2O2/c1-18-13-6-4-11(5-7-13)9-12-10-19-15(17-12)14-3-2-8-16-14/h4-7,12,14,16H,2-3,8-10H2,1H3
InChIKeyLEEWUZJONFHAQX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds4

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

4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061820) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061820
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2COC(C3CCCN3)=N2)cc1
InChIInChI=1S/C15H20N2O2/c1-18-13-6-4-11(5-7-13)9-12-10-19-15(17-12)14-3-2-8-16-14/h4-7,12,14,16H,2-3,8-10H2,1H3
InChIKeyLEEWUZJONFHAQX-UHFFFAOYSA-N
XLogP1.79
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-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

Related Compounds

1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole
CID 71698320
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
4-(2-methoxyphenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061930
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol
CID 21436176
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole (CID 115061820) is 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole is COc1ccc(CC2COC(C3CCCN3)=N2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is LEEWUZJONFHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-13-6-4-11(5-7-13)9-12-10-19-15(17-12)14-3-2-8-16-14/h4-7,12,14,16H,2-3,8-10H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 260.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).