N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide

C20H16F3N3O3 — CID 139412304

IUPACN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide
SMILESO=C(N[C@@H]1CCc2cc(-c3noc(C(F)F)n3)ccc21)c1cccc(CO)c1F
InChIInChI=1S/C20H16F3N3O3/c21-16-12(9-27)2-1-3-14(16)19(28)24-15-7-5-10-8-11(4-6-13(10)15)18-25-20(17(22)23)29-26-18/h1-4,6,8,15,17,27H,5,7,9H2,(H,24,28)/t15-/m1/s1
InChIKeyVKJOYUDPXIJWQY-OAHLLOKOSA-N
MW403.36 g/mol
LogP3.72
Rot. Bonds5

About N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide (PubChem CID 139412304) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide
PubChem CID139412304
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide
SMILESO=C(N[C@@H]1CCc2cc(-c3noc(C(F)F)n3)ccc21)c1cccc(CO)c1F
InChIInChI=1S/C20H16F3N3O3/c21-16-12(9-27)2-1-3-14(16)19(28)24-15-7-5-10-8-11(4-6-13(10)15)18-25-20(17(22)23)29-26-18/h1-4,6,8,15,17,27H,5,7,9H2,(H,24,28)/t15-/m1/s1
InChIKeyVKJOYUDPXIJWQY-OAHLLOKOSA-N
XLogP3.72
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide?
The IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide (CID 139412304) is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide?
The canonical SMILES for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide is O=C(N[C@@H]1CCc2cc(-c3noc(C(F)F)n3)ccc21)c1cccc(CO)c1F.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide?
The InChIKey is VKJOYUDPXIJWQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c21-16-12(9-27)2-1-3-14(16)19(28)24-15-7-5-10-8-11(4-6-13(10)15)18-25-20(17(22)23)29-26-18/h1-4,6,8,15,17,27H,5,7,9H2,(H,24,28)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide has a molecular weight of 403.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide is sourced from PubChem (CID 139412304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).