5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide

C18H16F2N4O4 — CID 118608819

IUPAC5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](O)c1nnc(C2CC(NC(=O)c3cc(-c4ccc(F)cc4F)on3)C2)o1
InChIInChI=1S/C18H16F2N4O4/c1-8(25)17-22-23-18(27-17)9-4-11(5-9)21-16(26)14-7-15(28-24-14)12-3-2-10(19)6-13(12)20/h2-3,6-9,11,25H,4-5H2,1H3,(H,21,26)/t8-,9?,11?/m0/s1
InChIKeyZUBWGJHSBXTFQG-SILCLGDVSA-N
MW390.35 g/mol
LogP2.73
Rot. Bonds5

About 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide (PubChem CID 118608819) has the molecular formula C18H16F2N4O4 and a molecular weight of 390.35 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide
PubChem CID118608819
Molecular FormulaC18H16F2N4O4
Molecular Weight390.35 g/mol
Exact Mass390.11
IUPAC Name5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](O)c1nnc(C2CC(NC(=O)c3cc(-c4ccc(F)cc4F)on3)C2)o1
InChIInChI=1S/C18H16F2N4O4/c1-8(25)17-22-23-18(27-17)9-4-11(5-9)21-16(26)14-7-15(28-24-14)12-3-2-10(19)6-13(12)20/h2-3,6-9,11,25H,4-5H2,1H3,(H,21,26)/t8-,9?,11?/m0/s1
InChIKeyZUBWGJHSBXTFQG-SILCLGDVSA-N
XLogP2.73
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide (CID 118608819) is 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide is C[C@H](O)c1nnc(C2CC(NC(=O)c3cc(-c4ccc(F)cc4F)on3)C2)o1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZUBWGJHSBXTFQG-SILCLGDVSA-N. The full InChI is InChI=1S/C18H16F2N4O4/c1-8(25)17-22-23-18(27-17)9-4-11(5-9)21-16(26)14-7-15(28-24-14)12-3-2-10(19)6-13(12)20/h2-3,6-9,11,25H,4-5H2,1H3,(H,21,26)/t8-,9?,11?/m0/s1.
What are the key properties of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?
5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide has a molecular weight of 390.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).