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

C19H19N3O3 — CID 90681031

IUPAC4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCO)c3)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-13-7-9-14(10-8-13)18-21-22-19(25-18)15-4-2-5-16(12-15)20-17(24)6-3-11-23/h2,4-5,7-10,12,23H,3,6,11H2,1H3,(H,20,24)
InChIKeyWCFAYXITFOJKMY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.42
Rot. Bonds6

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

4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide (PubChem CID 90681031) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide
PubChem CID90681031
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCO)c3)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-13-7-9-14(10-8-13)18-21-22-19(25-18)15-4-2-5-16(12-15)20-17(24)6-3-11-23/h2,4-5,7-10,12,23H,3,6,11H2,1H3,(H,20,24)
InChIKeyWCFAYXITFOJKMY-UHFFFAOYSA-N
XLogP3.42
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
The IUPAC name of 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide (CID 90681031) is 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCO)c3)o2)cc1.
What is the InChIKey of 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
The InChIKey is WCFAYXITFOJKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-7-9-14(10-8-13)18-21-22-19(25-18)15-4-2-5-16(12-15)20-17(24)6-3-11-23/h2,4-5,7-10,12,23H,3,6,11H2,1H3,(H,20,24).
What are the key properties of 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide has a molecular weight of 337.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide is sourced from PubChem (CID 90681031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).