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

C20H15N3O4 — CID 661009

IUPACN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1
InChIInChI=1S/C20H15N3O4/c1-25-16-5-2-4-14(12-16)18(24)21-15-9-7-13(8-10-15)19-22-23-20(27-19)17-6-3-11-26-17/h2-12H,1H3,(H,21,24)
InChIKeyAOEIQEHYOZILKV-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.26
Rot. Bonds5

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

N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide (PubChem CID 661009) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
PubChem CID661009
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1
InChIInChI=1S/C20H15N3O4/c1-25-16-5-2-4-14(12-16)18(24)21-15-9-7-13(8-10-15)19-22-23-20(27-19)17-6-3-11-26-17/h2-12H,1H3,(H,21,24)
InChIKeyAOEIQEHYOZILKV-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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Related Compounds

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CID 1935420
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CID 44412436
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CID 1160631
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CID 1038405
CID 1038405
CID 1038406
CID 1038406
CID 1073872
CID 1073872
CID 1026416
CID 1026416
CID 1299651
CID 1299651
CID 1299744
CID 1299744
CID 2200770
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CID 691759
CID 691759

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide (CID 661009) is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1.
What is the InChIKey of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The InChIKey is AOEIQEHYOZILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-25-16-5-2-4-14(12-16)18(24)21-15-9-7-13(8-10-15)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-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-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-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 661009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).