2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide

C20H17N3O3S — CID 71800632

IUPAC2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c(C)o1
InChIInChI=1S/C20H17N3O3S/c1-12-10-15(13(2)25-12)20(24)21-16-7-4-3-6-14(16)11-18-22-19(23-26-18)17-8-5-9-27-17/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyNTLFPGZESCVGRX-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.85
Rot. Bonds5

About 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide (PubChem CID 71800632) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
PubChem CID71800632
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c(C)o1
InChIInChI=1S/C20H17N3O3S/c1-12-10-15(13(2)25-12)20(24)21-16-7-4-3-6-14(16)11-18-22-19(23-26-18)17-8-5-9-27-17/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyNTLFPGZESCVGRX-UHFFFAOYSA-N
XLogP4.85
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide (CID 71800632) is 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
The InChIKey is NTLFPGZESCVGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-12-10-15(13(2)25-12)20(24)21-16-7-4-3-6-14(16)11-18-22-19(23-26-18)17-8-5-9-27-17/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 71800632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).