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

C17H20N2O3 — CID 136527266

IUPAC(5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O3/c1-3-15-16(18-11-22-15)17(20)19-10-4-5-14(19)12-6-8-13(21-2)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3
InChIKeyCMCZFTGFUYDXGW-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.22
Rot. Bonds4

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

(5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 136527266) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID136527266
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O3/c1-3-15-16(18-11-22-15)17(20)19-10-4-5-14(19)12-6-8-13(21-2)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3
InChIKeyCMCZFTGFUYDXGW-UHFFFAOYSA-N
XLogP3.22
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 95779687
[5-[1-(5-ethyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 45213659
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 30777913
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
(3,6-dichloro-2-pyridinyl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31797521
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 79814213
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 136527266) is (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is CCc1ocnc1C(=O)N1CCCC1c1ccc(OC)cc1.
What is the InChIKey of (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CMCZFTGFUYDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-15-16(18-11-22-15)17(20)19-10-4-5-14(19)12-6-8-13(21-2)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3.
What are the key properties of (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
(5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-4-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136527266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).