[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate

C22H22N2O4 — CID 46893513

IUPAC[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
SMILESO=C(OCc1cc(-c2ccc(OCc3ccccc3)cc2)no1)N1CCCC1
InChIInChI=1S/C22H22N2O4/c25-22(24-12-4-5-13-24)27-16-20-14-21(23-28-20)18-8-10-19(11-9-18)26-15-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15-16H2
InChIKeyLQJNWHXFMRVKNH-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.65
Rot. Bonds6

About [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate

[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate (PubChem CID 46893513) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
PubChem CID46893513
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
SMILESO=C(OCc1cc(-c2ccc(OCc3ccccc3)cc2)no1)N1CCCC1
InChIInChI=1S/C22H22N2O4/c25-22(24-12-4-5-13-24)27-16-20-14-21(23-28-20)18-8-10-19(11-9-18)26-15-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15-16H2
InChIKeyLQJNWHXFMRVKNH-UHFFFAOYSA-N
XLogP4.65
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl piperidine-1-carboxylate
CID 158057698
2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate
CID 141273478
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 142679984
tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
CID 54505547
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892621
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate
CID 90928866
3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
CID 90202589

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate?
The IUPAC name of [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate (CID 46893513) is [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate?
The canonical SMILES for [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate is O=C(OCc1cc(-c2ccc(OCc3ccccc3)cc2)no1)N1CCCC1.
What is the InChIKey of [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate?
The InChIKey is LQJNWHXFMRVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-22(24-12-4-5-13-24)27-16-20-14-21(23-28-20)18-8-10-19(11-9-18)26-15-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15-16H2.
What are the key properties of [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate?
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 46893513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).