2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide

C15H14N4O3 — CID 71780995

IUPAC2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)n1
InChIInChI=1S/C15H14N4O3/c1-8-5-4-6-12(16-8)14-18-19-15(22-14)17-13(20)11-7-9(2)21-10(11)3/h4-7H,1-3H3,(H,17,19,20)
InChIKeyYGSSTUQUANPUMS-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.90
Rot. Bonds3

About 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide

2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide (PubChem CID 71780995) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
PubChem CID71780995
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)n1
InChIInChI=1S/C15H14N4O3/c1-8-5-4-6-12(16-8)14-18-19-15(22-14)17-13(20)11-7-9(2)21-10(11)3/h4-7H,1-3H3,(H,17,19,20)
InChIKeyYGSSTUQUANPUMS-UHFFFAOYSA-N
XLogP2.90
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.90
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-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide (CID 71780995) is 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide is Cc1cccc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)n1.
What is the InChIKey of 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
The InChIKey is YGSSTUQUANPUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-8-5-4-6-12(16-8)14-18-19-15(22-14)17-13(20)11-7-9(2)21-10(11)3/h4-7H,1-3H3,(H,17,19,20).
What are the key properties of 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71780995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).