tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate

C19H23FN2O4 — CID 138691235

IUPACtert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
SMILESCOc1c(F)cccc1-c1cc(C2CCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C19H23FN2O4/c1-19(2,3)25-18(23)22-10-6-9-15(22)16-11-14(21-26-16)12-7-5-8-13(20)17(12)24-4/h5,7-8,11,15H,6,9-10H2,1-4H3
InChIKeyFDDBTAREHKUIPB-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.56
Rot. Bonds3

About tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate

tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate (PubChem CID 138691235) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
PubChem CID138691235
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Nametert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
SMILESCOc1c(F)cccc1-c1cc(C2CCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C19H23FN2O4/c1-19(2,3)25-18(23)22-10-6-9-15(22)16-11-14(21-26-16)12-7-5-8-13(20)17(12)24-4/h5,7-8,11,15H,6,9-10H2,1-4H3
InChIKeyFDDBTAREHKUIPB-UHFFFAOYSA-N
XLogP4.56
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[3-(3-chloro-2-methylphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691241
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CID 68813555
tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 154457614
tert-butyl (2S)-2-[3-(2-cyano-3-pyridinyl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69240705
tert-butyl (2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69237787
tert-butyl 2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69237791
tert-butyl (2S)-2-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 118355353
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate
CID 118677205
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl (2S)-2-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxylate
CID 164551558
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate (CID 138691235) is tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate is COc1c(F)cccc1-c1cc(C2CCCN2C(=O)OC(C)(C)C)on1.
What is the InChIKey of tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
The InChIKey is FDDBTAREHKUIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-19(2,3)25-18(23)22-10-6-9-15(22)16-11-14(21-26-16)12-7-5-8-13(20)17(12)24-4/h5,7-8,11,15H,6,9-10H2,1-4H3.
What are the key properties of tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate has a molecular weight of 362.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 138691235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).