N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide

C18H17N3O3 — CID 4791318

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-3-23-15-10-8-14(9-11-15)17-20-21-18(24-17)19-16(22)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyXULHYUOKIXMUQV-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.70
Rot. Bonds5

About N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (PubChem CID 4791318) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
PubChem CID4791318
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-3-23-15-10-8-14(9-11-15)17-20-21-18(24-17)19-16(22)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyXULHYUOKIXMUQV-UHFFFAOYSA-N
XLogP3.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 43975714
4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975649
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42908304
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (CID 4791318) is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is CCOc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The InChIKey is XULHYUOKIXMUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-23-15-10-8-14(9-11-15)17-20-21-18(24-17)19-16(22)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide has a molecular weight of 323.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 4791318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).