N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H17N3O3 — CID 18126283

IUPACN-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccccc3O)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-6-8-13(9-7-12)18-21-20-17(24-18)11-10-16(23)19-14-4-2-3-5-15(14)22/h2-9,22H,10-11H2,1H3,(H,19,23)
InChIKeyJCTKIKKKVXMVAF-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.32
Rot. Bonds5

About N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 18126283) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID18126283
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccccc3O)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-6-8-13(9-7-12)18-21-20-17(24-18)11-10-16(23)19-14-4-2-3-5-15(14)22/h2-9,22H,10-11H2,1H3,(H,19,23)
InChIKeyJCTKIKKKVXMVAF-UHFFFAOYSA-N
XLogP3.32
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 18126283) is N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3ccccc3O)o2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is JCTKIKKKVXMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-6-8-13(9-7-12)18-21-20-17(24-18)11-10-16(23)19-14-4-2-3-5-15(14)22/h2-9,22H,10-11H2,1H3,(H,19,23).
What are the key properties of N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 323.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 18126283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).