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

C23H17N3O4 — CID 3992027

IUPAC[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1
InChIInChI=1S/C23H17N3O4/c1-15(27)29-20-12-6-9-17(14-20)21(28)24-19-11-5-10-18(13-19)23-26-25-22(30-23)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,28)
InChIKeyHMABYIAGFOJXEX-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.58
Rot. Bonds5

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

[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 3992027) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
PubChem CID3992027
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1
InChIInChI=1S/C23H17N3O4/c1-15(27)29-20-12-6-9-17(14-20)21(28)24-19-11-5-10-18(13-19)23-26-25-22(30-23)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,28)
InChIKeyHMABYIAGFOJXEX-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

[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 1105612
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928042
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
tert-butyl 5-[3-[(3-acetyloxybenzoyl)amino]phenyl]pyrazole-1-carboxylate
CID 153336868
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate (CID 3992027) is [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1.
What is the InChIKey of [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is HMABYIAGFOJXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-15(27)29-20-12-6-9-17(14-20)21(28)24-19-11-5-10-18(13-19)23-26-25-22(30-23)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,28).
What are the key properties of [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
[3-[[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 [3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 3992027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).