4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide

C18H18FN3O4 — CID 78872121

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)NCC(O)c1ccco1
InChIInChI=1S/C18H18FN3O4/c19-13-8-6-12(7-9-13)18-21-17(26-22-18)5-1-4-16(24)20-11-14(23)15-3-2-10-25-15/h2-3,6-10,14,23H,1,4-5,11H2,(H,20,24)
InChIKeyHJOLOZHOHTVJFE-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.64
Rot. Bonds8

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide (PubChem CID 78872121) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
PubChem CID78872121
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)NCC(O)c1ccco1
InChIInChI=1S/C18H18FN3O4/c19-13-8-6-12(7-9-13)18-21-17(26-22-18)5-1-4-16(24)20-11-14(23)15-3-2-10-25-15/h2-3,6-10,14,23H,1,4-5,11H2,(H,20,24)
InChIKeyHJOLOZHOHTVJFE-UHFFFAOYSA-N
XLogP2.64
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]ethyl]furan-2-carboxamide
CID 55688084
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 78868669
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55973374
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110888709
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
methyl 4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoate
CID 39704791
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
CID 42959726

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide (CID 78872121) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide is O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCC(O)c1ccco1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
The InChIKey is HJOLOZHOHTVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-13-8-6-12(7-9-13)18-21-17(26-22-18)5-1-4-16(24)20-11-14(23)15-3-2-10-25-15/h2-3,6-10,14,23H,1,4-5,11H2,(H,20,24).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide has a molecular weight of 359.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide is sourced from PubChem (CID 78872121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).