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

C20H20F3N3O3 — CID 171518968

IUPAC1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(OC(F)(F)F)c(CCc4ccon4)cc3[nH]2)CC1
InChIInChI=1S/C20H20F3N3O3/c1-19(5-6-19)18(27)24-11-15-8-13-10-17(29-20(21,22)23)12(9-16(13)25-15)2-3-14-4-7-28-26-14/h4,7-10,25H,2-3,5-6,11H2,1H3,(H,24,27)
InChIKeyQRICVTSXCDIBTH-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.26
Rot. Bonds7

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

1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 171518968) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID171518968
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(OC(F)(F)F)c(CCc4ccon4)cc3[nH]2)CC1
InChIInChI=1S/C20H20F3N3O3/c1-19(5-6-19)18(27)24-11-15-8-13-10-17(29-20(21,22)23)12(9-16(13)25-15)2-3-14-4-7-28-26-14/h4,7-10,25H,2-3,5-6,11H2,1H3,(H,24,27)
InChIKeyQRICVTSXCDIBTH-UHFFFAOYSA-N
XLogP4.26
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (CID 171518968) is 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(OC(F)(F)F)c(CCc4ccon4)cc3[nH]2)CC1.
What is the InChIKey of 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is QRICVTSXCDIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-19(5-6-19)18(27)24-11-15-8-13-10-17(29-20(21,22)23)12(9-16(13)25-15)2-3-14-4-7-28-26-14/h4,7-10,25H,2-3,5-6,11H2,1H3,(H,24,27).
What are the key properties of 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171518968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).