2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide

C16H14N4O2 — CID 71920781

IUPAC2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3)nn2)o1
InChIInChI=1S/C16H14N4O2/c1-10-15(22-11(2)17-10)16(21)18-14-9-8-13(19-20-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21)
InChIKeyASFQIKJAUQOKCS-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.00
Rot. Bonds3

About 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide (PubChem CID 71920781) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
PubChem CID71920781
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3)nn2)o1
InChIInChI=1S/C16H14N4O2/c1-10-15(22-11(2)17-10)16(21)18-14-9-8-13(19-20-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21)
InChIKeyASFQIKJAUQOKCS-UHFFFAOYSA-N
XLogP3.00
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
4-methyl-N-(6-phenylpyridazin-3-yl)pyridine-3-carboxamide
CID 167955003
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026213
4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873822
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide
CID 124607211
2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
CID 118162691
2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567309
N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 102674320

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide (CID 71920781) is 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3)nn2)o1.
What is the InChIKey of 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is ASFQIKJAUQOKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-15(22-11(2)17-10)16(21)18-14-9-8-13(19-20-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21).
What are the key properties of 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71920781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).