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

C24H21N3O3 — CID 1026537

IUPAC2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-3-29-21-7-5-4-6-20(21)22(28)25-19-14-12-18(13-15-19)24-27-26-23(30-24)17-10-8-16(2)9-11-17/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyPHNUHFOVUYSVIM-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.36
Rot. Bonds6

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

2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 1026537) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID1026537
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-3-29-21-7-5-4-6-20(21)22(28)25-19-14-12-18(13-15-19)24-27-26-23(30-24)17-10-8-16(2)9-11-17/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyPHNUHFOVUYSVIM-UHFFFAOYSA-N
XLogP5.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 1026537) is 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is PHNUHFOVUYSVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-3-29-21-7-5-4-6-20(21)22(28)25-19-14-12-18(13-15-19)24-27-26-23(30-24)17-10-8-16(2)9-11-17/h4-15H,3H2,1-2H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 1026537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).