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

C19H18FN3O4 — CID 7677466

IUPAC(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC)cc1
InChIInChI=1S/C19H18FN3O4/c1-3-15(26-16-7-5-4-6-14(16)20)19(24)21-18-17(22-27-23-18)12-8-10-13(25-2)11-9-12/h4-11,15H,3H2,1-2H3,(H,21,23,24)/t15-/m1/s1
InChIKeyFNNCPKKHDNGDAO-OAHLLOKOSA-N
MW371.37 g/mol
LogP3.68
Rot. Bonds7

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

(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide (PubChem CID 7677466) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
PubChem CID7677466
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC)cc1
InChIInChI=1S/C19H18FN3O4/c1-3-15(26-16-7-5-4-6-14(16)20)19(24)21-18-17(22-27-23-18)12-8-10-13(25-2)11-9-12/h4-11,15H,3H2,1-2H3,(H,21,23,24)/t15-/m1/s1
InChIKeyFNNCPKKHDNGDAO-OAHLLOKOSA-N
XLogP3.68
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7708611
(2R)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42278337
(2R)-2-(2-fluorophenoxy)-N-[4-(4-prop-2-enoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42535712
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 7677437
(2S)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)propanamide
CID 40965372
2-(2-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014047
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide (CID 7677466) is (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide is CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The InChIKey is FNNCPKKHDNGDAO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-3-15(26-16-7-5-4-6-14(16)20)19(24)21-18-17(22-27-23-18)12-8-10-13(25-2)11-9-12/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-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide has a molecular weight of 371.37 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 7677466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).