[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate

C23H17N3O4 — CID 1105612

IUPAC[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C23H17N3O4/c1-15(27)29-20-12-10-16(11-13-20)21(28)24-19-9-5-8-18(14-19)23-26-25-22(30-23)17-6-3-2-4-7-17/h2-14H,1H3,(H,24,28)
InChIKeyCYBRGJFVJCGFIN-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.58
Rot. Bonds5

About [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate

[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 1105612) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
PubChem CID1105612
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C23H17N3O4/c1-15(27)29-20-12-10-16(11-13-20)21(28)24-19-9-5-8-18(14-19)23-26-25-22(30-23)17-6-3-2-4-7-17/h2-14H,1H3,(H,24,28)
InChIKeyCYBRGJFVJCGFIN-UHFFFAOYSA-N
XLogP4.58
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 3881325
(4-benzamidophenyl) acetate
CID 34734144
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
[4-[[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]phenyl] propanoate
CID 17359655
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
[4-[5-[3,5-bis[5-(4-acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 118041982

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate (CID 1105612) is [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1.
What is the InChIKey of [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is CYBRGJFVJCGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-15(27)29-20-12-10-16(11-13-20)21(28)24-19-9-5-8-18(14-19)23-26-25-22(30-23)17-6-3-2-4-7-17/h2-14H,1H3,(H,24,28).
What are the key properties of [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 399.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 1105612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).