N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C17H11F5N4O3 — CID 139412953

IUPACN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NC1CCc2cc(-c3noc(C(F)F)n3)ccc21)c1ocnc1C(F)(F)F
InChIInChI=1S/C17H11F5N4O3/c18-13(19)16-25-14(26-29-16)8-1-3-9-7(5-8)2-4-10(9)24-15(27)11-12(17(20,21)22)23-6-28-11/h1,3,5-6,10,13H,2,4H2,(H,24,27)
InChIKeyZSAMRJUOMSRZEQ-UHFFFAOYSA-N
MW414.29 g/mol
LogP4.10
Rot. Bonds4

About N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 139412953) has the molecular formula C17H11F5N4O3 and a molecular weight of 414.29 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID139412953
Molecular FormulaC17H11F5N4O3
Molecular Weight414.29 g/mol
Exact Mass414.08
IUPAC NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NC1CCc2cc(-c3noc(C(F)F)n3)ccc21)c1ocnc1C(F)(F)F
InChIInChI=1S/C17H11F5N4O3/c18-13(19)16-25-14(26-29-16)8-1-3-9-7(5-8)2-4-10(9)24-15(27)11-12(17(20,21)22)23-6-28-11/h1,3,5-6,10,13H,2,4H2,(H,24,27)
InChIKeyZSAMRJUOMSRZEQ-UHFFFAOYSA-N
XLogP4.10
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 139412953) is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(NC1CCc2cc(-c3noc(C(F)F)n3)ccc21)c1ocnc1C(F)(F)F.
What is the InChIKey of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ZSAMRJUOMSRZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4O3/c18-13(19)16-25-14(26-29-16)8-1-3-9-7(5-8)2-4-10(9)24-15(27)11-12(17(20,21)22)23-6-28-11/h1,3,5-6,10,13H,2,4H2,(H,24,27).
What are the key properties of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 414.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139412953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).