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

C18H15F4N3O3 — CID 171518276

IUPACN-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1)C1(C(F)(F)F)CC1
InChIInChI=1S/C18H15F4N3O3/c19-13-6-10-5-12(8-23-16(26)17(2-3-17)18(20,21)22)24-14(10)7-15(13)27-9-11-1-4-28-25-11/h1,4-7,24H,2-3,8-9H2,(H,23,26)
InChIKeyOXGZUIWAMRDMGD-UHFFFAOYSA-N
MW397.33 g/mol
LogP3.83
Rot. Bonds6

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

N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 171518276) has the molecular formula C18H15F4N3O3 and a molecular weight of 397.33 g/mol. Its IUPAC name is N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID171518276
Molecular FormulaC18H15F4N3O3
Molecular Weight397.33 g/mol
Exact Mass397.10
IUPAC NameN-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1)C1(C(F)(F)F)CC1
InChIInChI=1S/C18H15F4N3O3/c19-13-6-10-5-12(8-23-16(26)17(2-3-17)18(20,21)22)24-14(10)7-15(13)27-9-11-1-4-28-25-11/h1,4-7,24H,2-3,8-9H2,(H,23,26)
InChIKeyOXGZUIWAMRDMGD-UHFFFAOYSA-N
XLogP3.83
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.83
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]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 171518276) is N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is OXGZUIWAMRDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O3/c19-13-6-10-5-12(8-23-16(26)17(2-3-17)18(20,21)22)24-14(10)7-15(13)27-9-11-1-4-28-25-11/h1,4-7,24H,2-3,8-9H2,(H,23,26).
What are the key properties of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 397.33 g/mol, XLogP of 3.83, 6 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]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171518276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).