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

C18H19FN4O2S — CID 55664148

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C18H19FN4O2S/c1-11(2)17-22-16(25-23-17)5-3-4-15(24)21-18-20-14(10-26-18)12-6-8-13(19)9-7-12/h6-11H,3-5H2,1-2H3,(H,20,21,24)
InChIKeyQBUPSSOFIMPOSJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.42
Rot. Bonds7

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55664148) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55664148
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C18H19FN4O2S/c1-11(2)17-22-16(25-23-17)5-3-4-15(24)21-18-20-14(10-26-18)12-6-8-13(19)9-7-12/h6-11H,3-5H2,1-2H3,(H,20,21,24)
InChIKeyQBUPSSOFIMPOSJ-UHFFFAOYSA-N
XLogP4.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39033570
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38910434
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 38931913
N-[(R)-(4-fluorophenyl)-phenylmethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51956080
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 38430142
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 71296571
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N,N'-bis[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]pentanediamide
CID 4582028
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051072
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 47255836

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55664148) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is QBUPSSOFIMPOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-11(2)17-22-16(25-23-17)5-3-4-15(24)21-18-20-14(10-26-18)12-6-8-13(19)9-7-12/h6-11H,3-5H2,1-2H3,(H,20,21,24).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 374.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55664148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).