N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide

C18H13N5O4 — CID 71800566

IUPACN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H13N5O4/c24-15-8-7-13(21-22-15)18(25)19-12-5-2-1-4-11(12)10-16-20-17(23-27-16)14-6-3-9-26-14/h1-9H,10H2,(H,19,25)(H,22,24)
InChIKeyDSMUJAULUKHLHO-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.26
Rot. Bonds5

About N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 71800566) has the molecular formula C18H13N5O4 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID71800566
Molecular FormulaC18H13N5O4
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H13N5O4/c24-15-8-7-13(21-22-15)18(25)19-12-5-2-1-4-11(12)10-16-20-17(23-27-16)14-6-3-9-26-14/h1-9H,10H2,(H,19,25)(H,22,24)
InChIKeyDSMUJAULUKHLHO-UHFFFAOYSA-N
XLogP2.26
TPSA126.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-{[4-(Dimethylamino)phenyl]methyl}-3-(furan-2-YL)-1-(3-nitrobenzoyl)-1H-1,2,4-triazol-5-amine
CID 16015388
N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 1292336
N-{4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 3237564
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 3238276
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-2-nitroaniline
CID 16016074
N-benzyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 16016106
N-(4-ethylphenyl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 16015273
N-butyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 16016080
N-(3,5-dimethylphenyl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 16015271
3-(4-fluorophenyl)-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 72717418
N-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 674571
3-(2-furyl)-1-(4-nitrobenzoyl)-1H-1,2,4-triazol-5-amine
CID 969681

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 71800566) is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DSMUJAULUKHLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O4/c24-15-8-7-13(21-22-15)18(25)19-12-5-2-1-4-11(12)10-16-20-17(23-27-16)14-6-3-9-26-14/h1-9H,10H2,(H,19,25)(H,22,24).
What are the key properties of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 363.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 71800566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).