4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole

C23H27N3O2 — CID 58951407

IUPAC4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
SMILESCOC[C@@H]1CCCN1CCc1nc(-c2ccc(-c3cccnc3)cc2)oc1C
InChIInChI=1S/C23H27N3O2/c1-17-22(11-14-26-13-4-6-21(26)16-27-2)25-23(28-17)19-9-7-18(8-10-19)20-5-3-12-24-15-20/h3,5,7-10,12,15,21H,4,6,11,13-14,16H2,1-2H3/t21-/m0/s1
InChIKeyWDBHUDCGMAMZNC-NRFANRHFSA-N
MW377.49 g/mol
LogP4.37
Rot. Bonds7

About 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole

4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole (PubChem CID 58951407) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
PubChem CID58951407
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
SMILESCOC[C@@H]1CCCN1CCc1nc(-c2ccc(-c3cccnc3)cc2)oc1C
InChIInChI=1S/C23H27N3O2/c1-17-22(11-14-26-13-4-6-21(26)16-27-2)25-23(28-17)19-9-7-18(8-10-19)20-5-3-12-24-15-20/h3,5,7-10,12,15,21H,4,6,11,13-14,16H2,1-2H3/t21-/m0/s1
InChIKeyWDBHUDCGMAMZNC-NRFANRHFSA-N
XLogP4.37
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-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-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole (CID 58951407) is 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole is COC[C@@H]1CCCN1CCc1nc(-c2ccc(-c3cccnc3)cc2)oc1C.
What is the InChIKey of 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The InChIKey is WDBHUDCGMAMZNC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-22(11-14-26-13-4-6-21(26)16-27-2)25-23(28-17)19-9-7-18(8-10-19)20-5-3-12-24-15-20/h3,5,7-10,12,15,21H,4,6,11,13-14,16H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole has a molecular weight of 377.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 58951407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).