[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

C23H24N2O3 — CID 59170072

IUPAC[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3cnoc3-c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-3-7-19(8-4-16)22-21(14-24-28-22)23(26)25-12-11-18(15-25)13-17-5-9-20(27-2)10-6-17/h3-10,14,18H,11-13,15H2,1-2H3
InChIKeyFMLFXNCABZHUHH-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.36
Rot. Bonds5

About [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 59170072) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID59170072
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3cnoc3-c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-3-7-19(8-4-16)22-21(14-24-28-22)23(26)25-12-11-18(15-25)13-17-5-9-20(27-2)10-6-17/h3-10,14,18H,11-13,15H2,1-2H3
InChIKeyFMLFXNCABZHUHH-UHFFFAOYSA-N
XLogP4.36
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-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

[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 110647508
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70749855
[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 132766947
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone
CID 83285947
(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619402
1-benzofuran;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]pyrrolidine-3-carboxylate
CID 143615474
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170036
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91888761

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (CID 59170072) is [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is COc1ccc(CC2CCN(C(=O)c3cnoc3-c3ccc(C)cc3)C2)cc1.
What is the InChIKey of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is FMLFXNCABZHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-3-7-19(8-4-16)22-21(14-24-28-22)23(26)25-12-11-18(15-25)13-17-5-9-20(27-2)10-6-17/h3-10,14,18H,11-13,15H2,1-2H3.
What are the key properties of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 59170072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).