N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide

C18H19FN4O3 — CID 171519810

IUPACN-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C18H19FN4O3/c19-15-8-12-7-14(10-20-18(24)23-4-1-2-5-23)21-16(12)9-17(15)25-11-13-3-6-26-22-13/h3,6-9,21H,1-2,4-5,10-11H2,(H,20,24)
InChIKeyYLZTXPRBESVERU-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.18
Rot. Bonds5

About N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide

N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 171519810) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID171519810
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C18H19FN4O3/c19-15-8-12-7-14(10-20-18(24)23-4-1-2-5-23)21-16(12)9-17(15)25-11-13-3-6-26-22-13/h3,6-9,21H,1-2,4-5,10-11H2,(H,20,24)
InChIKeyYLZTXPRBESVERU-UHFFFAOYSA-N
XLogP3.18
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.18
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-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide (CID 171519810) is N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1)N1CCCC1.
What is the InChIKey of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is YLZTXPRBESVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-15-8-12-7-14(10-20-18(24)23-4-1-2-5-23)21-16(12)9-17(15)25-11-13-3-6-26-22-13/h3,6-9,21H,1-2,4-5,10-11H2,(H,20,24).
What are the key properties of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 3.18, 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-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 171519810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).