4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C22H21N3O3 — CID 119066910

IUPAC4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCCc1nnc(CNC(=O)c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)o1
InChIInChI=1S/C22H21N3O3/c1-2-19-24-25-20(28-19)13-23-22(27)18-11-5-15(6-12-18)14-3-7-16(8-4-14)21(26)17-9-10-17/h3-8,11-12,17H,2,9-10,13H2,1H3,(H,23,27)
InChIKeyAFMIPXCZQCNPFE-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.82
Rot. Bonds7

About 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 119066910) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID119066910
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCCc1nnc(CNC(=O)c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)o1
InChIInChI=1S/C22H21N3O3/c1-2-19-24-25-20(28-19)13-23-22(27)18-11-5-15(6-12-18)14-3-7-16(8-4-14)21(26)17-9-10-17/h3-8,11-12,17H,2,9-10,13H2,1H3,(H,23,27)
InChIKeyAFMIPXCZQCNPFE-UHFFFAOYSA-N
XLogP3.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 119066910) is 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CCc1nnc(CNC(=O)c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)o1.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is AFMIPXCZQCNPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-19-24-25-20(28-19)13-23-22(27)18-11-5-15(6-12-18)14-3-7-16(8-4-14)21(26)17-9-10-17/h3-8,11-12,17H,2,9-10,13H2,1H3,(H,23,27).
What are the key properties of 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)phenyl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 119066910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).