N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide

C20H15N3O4 — CID 1299744

IUPACN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C20H15N3O4/c1-25-16-9-7-13(8-10-16)18(24)21-15-5-2-4-14(12-15)19-22-23-20(27-19)17-6-3-11-26-17/h2-12H,1H3,(H,21,24)
InChIKeyZHAYEDNBXJSTHK-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.26
Rot. Bonds5

About N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide (PubChem CID 1299744) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide
PubChem CID1299744
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C20H15N3O4/c1-25-16-9-7-13(8-10-16)18(24)21-15-5-2-4-14(12-15)19-22-23-20(27-19)17-6-3-11-26-17/h2-12H,1H3,(H,21,24)
InChIKeyZHAYEDNBXJSTHK-UHFFFAOYSA-N
XLogP4.26
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide (CID 1299744) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1.
What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide?
The InChIKey is ZHAYEDNBXJSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-25-16-9-7-13(8-10-16)18(24)21-15-5-2-4-14(12-15)19-22-23-20(27-19)17-6-3-11-26-17/h2-12H,1H3,(H,21,24).
What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide?
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide has a molecular weight of 361.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1299744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).