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

C19H19F3N4O4 — CID 171517965

IUPACN-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cc2cc(OC(F)(F)F)c(OCc3ccon3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C19H19F3N4O4/c20-19(21,22)30-17-8-12-7-14(10-23-18(27)26-4-1-2-5-26)24-15(12)9-16(17)28-11-13-3-6-29-25-13/h3,6-9,24H,1-2,4-5,10-11H2,(H,23,27)
InChIKeyAAHNLUKQNGNCOX-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.94
Rot. Bonds6

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

N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 171517965) has the molecular formula C19H19F3N4O4 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID171517965
Molecular FormulaC19H19F3N4O4
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC NameN-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cc2cc(OC(F)(F)F)c(OCc3ccon3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C19H19F3N4O4/c20-19(21,22)30-17-8-12-7-14(10-23-18(27)26-4-1-2-5-26)24-15(12)9-16(17)28-11-13-3-6-29-25-13/h3,6-9,24H,1-2,4-5,10-11H2,(H,23,27)
InChIKeyAAHNLUKQNGNCOX-UHFFFAOYSA-N
XLogP3.94
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide (CID 171517965) is N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1cc2cc(OC(F)(F)F)c(OCc3ccon3)cc2[nH]1)N1CCCC1.
What is the InChIKey of N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is AAHNLUKQNGNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4/c20-19(21,22)30-17-8-12-7-14(10-23-18(27)26-4-1-2-5-26)24-15(12)9-16(17)28-11-13-3-6-29-25-13/h3,6-9,24H,1-2,4-5,10-11H2,(H,23,27).
What are the key properties of N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,2-oxazol-3-ylmethoxy)-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 171517965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).