[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C24H26N2O4 — CID 42896770

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-22(17(2)30-25-16)15-29-21-12-8-19(9-13-21)24(27)26-14-4-5-23(26)18-6-10-20(28-3)11-7-18/h6-13,23H,4-5,14-15H2,1-3H3
InChIKeyRDRSJFMMYAAHMX-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.86
Rot. Bonds6

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 42896770) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID42896770
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-22(17(2)30-25-16)15-29-21-12-8-19(9-13-21)24(27)26-14-4-5-23(26)18-6-10-20(28-3)11-7-18/h6-13,23H,4-5,14-15H2,1-3H3
InChIKeyRDRSJFMMYAAHMX-UHFFFAOYSA-N
XLogP4.86
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone 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

[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 46603357
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 97002054
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 9467316
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41323095
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533896
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41292877
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone
CID 55329208
methyl 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153800
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 29096991

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 42896770) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is RDRSJFMMYAAHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-22(17(2)30-25-16)15-29-21-12-8-19(9-13-21)24(27)26-14-4-5-23(26)18-6-10-20(28-3)11-7-18/h6-13,23H,4-5,14-15H2,1-3H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 406.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42896770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).