N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide

C17H17FN4O3 — CID 171518067

IUPACN-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccno3)cc2[nH]1)N1CCC1
InChIInChI=1S/C17H17FN4O3/c18-14-7-11-6-12(9-19-17(23)22-4-1-5-22)21-15(11)8-16(14)24-10-13-2-3-20-25-13/h2-3,6-8,21H,1,4-5,9-10H2,(H,19,23)
InChIKeyLBNHZRIXIBCDQO-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.79
Rot. Bonds5

About N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide

N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide (PubChem CID 171518067) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
PubChem CID171518067
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccno3)cc2[nH]1)N1CCC1
InChIInChI=1S/C17H17FN4O3/c18-14-7-11-6-12(9-19-17(23)22-4-1-5-22)21-15(11)8-16(14)24-10-13-2-3-20-25-13/h2-3,6-8,21H,1,4-5,9-10H2,(H,19,23)
InChIKeyLBNHZRIXIBCDQO-UHFFFAOYSA-N
XLogP2.79
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide (CID 171518067) is N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide is O=C(NCc1cc2cc(F)c(OCc3ccno3)cc2[nH]1)N1CCC1.
What is the InChIKey of N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The InChIKey is LBNHZRIXIBCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-14-7-11-6-12(9-19-17(23)22-4-1-5-22)21-15(11)8-16(14)24-10-13-2-3-20-25-13/h2-3,6-8,21H,1,4-5,9-10H2,(H,19,23).
What are the key properties of N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 171518067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).