5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole

C14H16N2O2 — CID 46785770

IUPAC5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
SMILESCOc1ccccc1-c1cc(C2CCCN2)no1
InChIInChI=1S/C14H16N2O2/c1-17-13-7-3-2-5-10(13)14-9-12(16-18-14)11-6-4-8-15-11/h2-3,5,7,9,11,15H,4,6,8H2,1H3
InChIKeyPQAUVPDPARADAI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.77
Rot. Bonds3

About 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole

5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole (PubChem CID 46785770) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
PubChem CID46785770
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
SMILESCOc1ccccc1-c1cc(C2CCCN2)no1
InChIInChI=1S/C14H16N2O2/c1-17-13-7-3-2-5-10(13)14-9-12(16-18-14)11-6-4-8-15-11/h2-3,5,7,9,11,15H,4,6,8H2,1H3
InChIKeyPQAUVPDPARADAI-UHFFFAOYSA-N
XLogP2.77
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole
CID 46785763
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
CID 115069875
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
4-methoxy-2-pyrrolidin-2-ylquinoline
CID 3320463
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437
5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575806
5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
CID 46785780
3-tert-butyl-5-(2-methoxyphenyl)-1,2-oxazole
CID 129255453
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole?
The IUPAC name of 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole (CID 46785770) is 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole?
The canonical SMILES for 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole is COc1ccccc1-c1cc(C2CCCN2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole?
The InChIKey is PQAUVPDPARADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-7-3-2-5-10(13)14-9-12(16-18-14)11-6-4-8-15-11/h2-3,5,7,9,11,15H,4,6,8H2,1H3.
What are the key properties of 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole?
5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole has a molecular weight of 244.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole is sourced from PubChem (CID 46785770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).