N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide

C18H14N4O3 — CID 90603045

IUPACN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc4ccccc4n3)o2)c(C)o1
InChIInChI=1S/C18H14N4O3/c1-10-9-13(11(2)24-10)17-21-22-18(25-17)20-16(23)15-8-7-12-5-3-4-6-14(12)19-15/h3-9H,1-2H3,(H,20,22,23)
InChIKeyMVUKUUQNMMGEQK-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.75
Rot. Bonds3

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

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide (PubChem CID 90603045) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide
PubChem CID90603045
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc4ccccc4n3)o2)c(C)o1
InChIInChI=1S/C18H14N4O3/c1-10-9-13(11(2)24-10)17-21-22-18(25-17)20-16(23)15-8-7-12-5-3-4-6-14(12)19-15/h3-9H,1-2H3,(H,20,22,23)
InChIKeyMVUKUUQNMMGEQK-UHFFFAOYSA-N
XLogP3.75
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603183
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 56764401
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 90603085
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
CID 90603123
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4-diethoxybenzamide
CID 90603088
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 90603049
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 90603259
2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 71780995
2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 43978186
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 90603131

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide (CID 90603045) is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide is Cc1cc(-c2nnc(NC(=O)c3ccc4ccccc4n3)o2)c(C)o1.
What is the InChIKey of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide?
The InChIKey is MVUKUUQNMMGEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-10-9-13(11(2)24-10)17-21-22-18(25-17)20-16(23)15-8-7-12-5-3-4-6-14(12)19-15/h3-9H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide?
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 90603045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).