methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate

C23H18N4O4 — CID 46387997

IUPACmethyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C23H18N4O4/c1-30-22(28)16-10-12-18(13-11-16)24-23(29)25-19-9-5-8-17(14-19)21-27-26-20(31-21)15-6-3-2-4-7-15/h2-14H,1H3,(H2,24,25,29)
InChIKeyJOVPGRHOLKXATM-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.83
Rot. Bonds5

About methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate

methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate (PubChem CID 46387997) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
PubChem CID46387997
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Namemethyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C23H18N4O4/c1-30-22(28)16-10-12-18(13-11-16)24-23(29)25-19-9-5-8-17(14-19)21-27-26-20(31-21)15-6-3-2-4-7-15/h2-14H,1H3,(H2,24,25,29)
InChIKeyJOVPGRHOLKXATM-UHFFFAOYSA-N
XLogP4.83
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate with MolForge

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Related Compounds

1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50829918
1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46388056
methyl 4-[5-[3-[5-(4-prop-1-en-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzoate
CID 88984323
1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50830004
[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 1105612
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
CID 146494289

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate?
The IUPAC name of methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate (CID 46387997) is methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1.
What is the InChIKey of methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate?
The InChIKey is JOVPGRHOLKXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-30-22(28)16-10-12-18(13-11-16)24-23(29)25-19-9-5-8-17(14-19)21-27-26-20(31-21)15-6-3-2-4-7-15/h2-14H,1H3,(H2,24,25,29).
What are the key properties of methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate?
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate has a molecular weight of 414.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate is sourced from PubChem (CID 46387997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).