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

C17H22FN3O3 — CID 111566233

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCC(O)c2ccccc2F)n1
InChIInChI=1S/C17H22FN3O3/c1-11(2)17-20-16(24-21-17)9-5-8-15(23)19-10-14(22)12-6-3-4-7-13(12)18/h3-4,6-7,11,14,22H,5,8-10H2,1-2H3,(H,19,23)
InChIKeyBOPAAJVRDBNVBD-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.50
Rot. Bonds8

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

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 111566233) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID111566233
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCC(O)c2ccccc2F)n1
InChIInChI=1S/C17H22FN3O3/c1-11(2)17-20-16(24-21-17)9-5-8-15(23)19-10-14(22)12-6-3-4-7-13(12)18/h3-4,6-7,11,14,22H,5,8-10H2,1-2H3,(H,19,23)
InChIKeyBOPAAJVRDBNVBD-UHFFFAOYSA-N
XLogP2.50
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111566
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111450939
1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 133351555
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-[(R)-(4-fluorophenyl)-phenylmethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51956080
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080867
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 111566233) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)NCC(O)c2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is BOPAAJVRDBNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-11(2)17-20-16(24-21-17)9-5-8-15(23)19-10-14(22)12-6-3-4-7-13(12)18/h3-4,6-7,11,14,22H,5,8-10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 335.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 111566233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).