(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide

C19H18FN3O3 — CID 7708611

IUPAC(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(C)cc1
InChIInChI=1S/C19H18FN3O3/c1-3-15(25-16-7-5-4-6-14(16)20)19(24)21-18-17(22-26-23-18)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,21,23,24)/t15-/m1/s1
InChIKeyFGTNBCJGWLFXBS-OAHLLOKOSA-N
MW355.37 g/mol
LogP3.98
Rot. Bonds6

About (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide

(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide (PubChem CID 7708611) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
PubChem CID7708611
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(C)cc1
InChIInChI=1S/C19H18FN3O3/c1-3-15(25-16-7-5-4-6-14(16)20)19(24)21-18-17(22-26-23-18)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,21,23,24)/t15-/m1/s1
InChIKeyFGTNBCJGWLFXBS-OAHLLOKOSA-N
XLogP3.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7677466
(2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 42278330
(2R)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42278337
(2S)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)propanamide
CID 40965372
(2R)-2-(2-fluorophenoxy)-N-[4-(4-prop-2-enoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42535712
2-(2-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014047
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 71863908
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide (CID 7708611) is (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide is CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The InChIKey is FGTNBCJGWLFXBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-3-15(25-16-7-5-4-6-14(16)20)19(24)21-18-17(22-26-23-18)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,21,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide has a molecular weight of 355.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 7708611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).