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

C21H15N3O5 — CID 146494289

IUPACmethyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C21H15N3O5/c1-27-21(26)16-9-3-2-8-15(16)18(25)22-14-7-4-6-13(12-14)19-23-24-20(29-19)17-10-5-11-28-17/h2-12H,1H3,(H,22,25)
InChIKeyIRMZKTJIFXEWJL-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.04
Rot. Bonds5

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

methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate (PubChem CID 146494289) has the molecular formula C21H15N3O5 and a molecular weight of 389.37 g/mol. Its IUPAC name is methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
PubChem CID146494289
Molecular FormulaC21H15N3O5
Molecular Weight389.37 g/mol
Exact Mass389.10
IUPAC Namemethyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C21H15N3O5/c1-27-21(26)16-9-3-2-8-15(16)18(25)22-14-7-4-6-13(12-14)19-23-24-20(29-19)17-10-5-11-28-17/h2-12H,1H3,(H,22,25)
InChIKeyIRMZKTJIFXEWJL-UHFFFAOYSA-N
XLogP4.04
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide
CID 146493966
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 142440079
ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 142440037
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
CID 135347274
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 142440215
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-6-methoxybenzamide
CID 142440100
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-hydroxybenzamide
CID 142440315
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide
CID 142440309
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
CID 142440239
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 146494133
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319990
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate (CID 146494289) is methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.
What is the InChIKey of methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate?
The InChIKey is IRMZKTJIFXEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5/c1-27-21(26)16-9-3-2-8-15(16)18(25)22-14-7-4-6-13(12-14)19-23-24-20(29-19)17-10-5-11-28-17/h2-12H,1H3,(H,22,25).
What are the key properties of methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate?
methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate has a molecular weight of 389.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 146494289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).