N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide

C18H12N4O3 — CID 108811725

IUPACN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc2ocnc2c1
InChIInChI=1S/C18H12N4O3/c23-17-7-5-14(21-22-17)11-2-1-3-13(8-11)20-18(24)12-4-6-16-15(9-12)19-10-25-16/h1-10H,(H,20,24)(H,22,23)
InChIKeySGWIGJNHPRNPIH-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.83
Rot. Bonds3

About N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 108811725) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
PubChem CID108811725
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc2ocnc2c1
InChIInChI=1S/C18H12N4O3/c23-17-7-5-14(21-22-17)11-2-1-3-13(8-11)20-18(24)12-4-6-16-15(9-12)19-10-25-16/h1-10H,(H,20,24)(H,22,23)
InChIKeySGWIGJNHPRNPIH-UHFFFAOYSA-N
XLogP2.83
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 108811382
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
3-methyl-4-nitro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035359
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide (CID 108811725) is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc2ocnc2c1.
What is the InChIKey of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is SGWIGJNHPRNPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-17-7-5-14(21-22-17)11-2-1-3-13(8-11)20-18(24)12-4-6-16-15(9-12)19-10-25-16/h1-10H,(H,20,24)(H,22,23).
What are the key properties of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide?
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108811725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).