5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

C21H23N3O3 — CID 135089018

IUPAC5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCOc1cccc(C2CCN(Cc3cc(-c4cccnc4)no3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-25-20-7-3-6-18(21(20)26-2)16-8-10-24(13-16)14-17-11-19(23-27-17)15-5-4-9-22-12-15/h3-7,9,11-12,16H,8,10,13-14H2,1-2H3
InChIKeyCQGCDXJVSJMNDK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.74
Rot. Bonds6

About 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (PubChem CID 135089018) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
PubChem CID135089018
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCOc1cccc(C2CCN(Cc3cc(-c4cccnc4)no3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-25-20-7-3-6-18(21(20)26-2)16-8-10-24(13-16)14-17-11-19(23-27-17)15-5-4-9-22-12-15/h3-7,9,11-12,16H,8,10,13-14H2,1-2H3
InChIKeyCQGCDXJVSJMNDK-UHFFFAOYSA-N
XLogP3.74
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 134700481
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
3-pyridin-3-yl-5-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95849665
3-[5-chloro-4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 131941768
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 91838613
4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136816113
2-[[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 124754070
methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate
CID 171908349
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797457
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 77083033
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91777300

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (CID 135089018) is 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is COc1cccc(C2CCN(Cc3cc(-c4cccnc4)no3)C2)c1OC.
What is the InChIKey of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is CQGCDXJVSJMNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-25-20-7-3-6-18(21(20)26-2)16-8-10-24(13-16)14-17-11-19(23-27-17)15-5-4-9-22-12-15/h3-7,9,11-12,16H,8,10,13-14H2,1-2H3.
What are the key properties of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 365.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 135089018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).