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

C19H26FN3O2 — CID 51103920

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NCC(C)(C)c2ccccc2F)n1
InChIInChI=1S/C19H26FN3O2/c1-4-8-16-22-18(25-23-16)12-7-11-17(24)21-13-19(2,3)14-9-5-6-10-15(14)20/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyRTEFOOBXYDJNCR-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.58
Rot. Bonds9

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

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 51103920) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID51103920
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NCC(C)(C)c2ccccc2F)n1
InChIInChI=1S/C19H26FN3O2/c1-4-8-16-22-18(25-23-16)12-7-11-17(24)21-13-19(2,3)14-9-5-6-10-15(14)20/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyRTEFOOBXYDJNCR-UHFFFAOYSA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87041751
(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 87011668
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-(2-hydroxy-2-methylpentyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103713290
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N-(3-amino-2-methylpropyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119995818
N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51103819
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 60838055

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 51103920) is N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)NCC(C)(C)c2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is RTEFOOBXYDJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-4-8-16-22-18(25-23-16)12-7-11-17(24)21-13-19(2,3)14-9-5-6-10-15(14)20/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 347.43 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 51103920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).