tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate

C16H19FN2O3 — CID 176913405

IUPACtert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cc3cc[nH]c3cc2F)C1
InChIInChI=1S/C16H19FN2O3/c1-16(2,3)22-15(20)19-8-11(9-19)21-14-6-10-4-5-18-13(10)7-12(14)17/h4-7,11,18H,8-9H2,1-3H3
InChIKeyPMTJEDGQTUSVBE-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate

tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate (PubChem CID 176913405) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate
PubChem CID176913405
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Nametert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cc3cc[nH]c3cc2F)C1
InChIInChI=1S/C16H19FN2O3/c1-16(2,3)22-15(20)19-8-11(9-19)21-14-6-10-4-5-18-13(10)7-12(14)17/h4-7,11,18H,8-9H2,1-3H3
InChIKeyPMTJEDGQTUSVBE-UHFFFAOYSA-N
XLogP3.31
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl 3-(5-chloro-2-iodophenoxy)azetidine-1-carboxylate
CID 175686853
tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate
CID 63303300
tert-butyl 3-(2,3,6-trifluorophenoxy)azetidine-1-carboxylate
CID 24902667
tert-butyl 3-(4-bromo-2,6-difluorophenoxy)azetidine-1-carboxylate;ethane
CID 142405797
3-(3,4-difluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxybenzoic acid
CID 122623246
tert-butyl 3-[[(2R)-2-(3-amino-3-oxopropyl)-7-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl]oxy]azetidine-1-carboxylate
CID 156785724
tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate
CID 167187799
tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
CID 162516277
tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
CID 168526679
tert-butyl 4-[[5-(3,5-dimethylphenoxy)-1H-indol-6-yl]sulfonyl]piperazine-1-carboxylate
CID 59260732
tert-butyl 3-[[7-fluoro-2-(hydroxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy]azetidine-1-carboxylate
CID 156862333

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate (CID 176913405) is tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2cc3cc[nH]c3cc2F)C1.
What is the InChIKey of tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate?
The InChIKey is PMTJEDGQTUSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-16(2,3)22-15(20)19-8-11(9-19)21-14-6-10-4-5-18-13(10)7-12(14)17/h4-7,11,18H,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate?
tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate is sourced from PubChem (CID 176913405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).