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

C18H16FN3O4 — CID 7677437

IUPAC(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O4/c1-11(25-15-9-5-13(19)6-10-15)18(23)20-17-16(21-26-22-17)12-3-7-14(24-2)8-4-12/h3-11H,1-2H3,(H,20,22,23)/t11-/m1/s1
InChIKeyZSPRBEXDLPUTPV-LLVKDONJSA-N
MW357.34 g/mol
LogP3.29
Rot. Bonds6

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

(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 7677437) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID7677437
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O4/c1-11(25-15-9-5-13(19)6-10-15)18(23)20-17-16(21-26-22-17)12-3-7-14(24-2)8-4-12/h3-11H,1-2H3,(H,20,22,23)/t11-/m1/s1
InChIKeyZSPRBEXDLPUTPV-LLVKDONJSA-N
XLogP3.29
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126571
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
(2R)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42278337
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-4-propan-2-yloxybenzamide
CID 17013908
(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7677466
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 34953133
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40871934
(2R)-2-(2-fluorophenoxy)-N-[4-(4-prop-2-enoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42535712
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
2-(2-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014047
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19244469
(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39867025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide (CID 7677437) is (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide is COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is ZSPRBEXDLPUTPV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-11(25-15-9-5-13(19)6-10-15)18(23)20-17-16(21-26-22-17)12-3-7-14(24-2)8-4-12/h3-11H,1-2H3,(H,20,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 357.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 7677437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).