N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

C16H15N3O6 — CID 7243998

IUPACN-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESCOc1cc(-c2nnc(NC(=O)c3ccco3)o2)cc(OC)c1OC
InChIInChI=1S/C16H15N3O6/c1-21-11-7-9(8-12(22-2)13(11)23-3)15-18-19-16(25-15)17-14(20)10-5-4-6-24-10/h4-8H,1-3H3,(H,17,19,20)
InChIKeyGMMLZXYCHHAZBE-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.61
Rot. Bonds6

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

N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 7243998) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID7243998
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESCOc1cc(-c2nnc(NC(=O)c3ccco3)o2)cc(OC)c1OC
InChIInChI=1S/C16H15N3O6/c1-21-11-7-9(8-12(22-2)13(11)23-3)15-18-19-16(25-15)17-14(20)10-5-4-6-24-10/h4-8H,1-3H3,(H,17,19,20)
InChIKeyGMMLZXYCHHAZBE-UHFFFAOYSA-N
XLogP2.61
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 7243998) is N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is COc1cc(-c2nnc(NC(=O)c3ccco3)o2)cc(OC)c1OC.
What is the InChIKey of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is GMMLZXYCHHAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-21-11-7-9(8-12(22-2)13(11)23-3)15-18-19-16(25-15)17-14(20)10-5-4-6-24-10/h4-8H,1-3H3,(H,17,19,20).
What are the key properties of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7243998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).