3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C22H23N3O3 — CID 126447741

IUPAC3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(=O)c1ccccc1-c1cccc(C(=O)N[C@H](C)c2nc(C(C)C)no2)c1
InChIInChI=1S/C22H23N3O3/c1-13(2)20-24-22(28-25-20)14(3)23-21(27)17-9-7-8-16(12-17)19-11-6-5-10-18(19)15(4)26/h5-14H,1-4H3,(H,23,27)/t14-/m1/s1
InChIKeyCNAFWMCSMNFEOD-CQSZACIVSA-N
MW377.44 g/mol
LogP4.55
Rot. Bonds6

About 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 126447741) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID126447741
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(=O)c1ccccc1-c1cccc(C(=O)N[C@H](C)c2nc(C(C)C)no2)c1
InChIInChI=1S/C22H23N3O3/c1-13(2)20-24-22(28-25-20)14(3)23-21(27)17-9-7-8-16(12-17)19-11-6-5-10-18(19)15(4)26/h5-14H,1-4H3,(H,23,27)/t14-/m1/s1
InChIKeyCNAFWMCSMNFEOD-CQSZACIVSA-N
XLogP4.55
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 126447741) is 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is CC(=O)c1ccccc1-c1cccc(C(=O)N[C@H](C)c2nc(C(C)C)no2)c1.
What is the InChIKey of 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is CNAFWMCSMNFEOD-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13(2)20-24-22(28-25-20)14(3)23-21(27)17-9-7-8-16(12-17)19-11-6-5-10-18(19)15(4)26/h5-14H,1-4H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 126447741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).