N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C21H17N5O3 — CID 166108563

IUPACN-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cccnn2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H17N5O3/c1-13-18(19(26-29-13)14-7-4-3-5-8-14)20(27)23-17-11-10-15(24-21(17)28-2)16-9-6-12-22-25-16/h3-12H,1-2H3,(H,23,27)
InChIKeyUUXRBIPRJLVONI-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.76
Rot. Bonds5

About N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108563) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108563
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cccnn2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H17N5O3/c1-13-18(19(26-29-13)14-7-4-3-5-8-14)20(27)23-17-11-10-15(24-21(17)28-2)16-9-6-12-22-25-16/h3-12H,1-2H3,(H,23,27)
InChIKeyUUXRBIPRJLVONI-UHFFFAOYSA-N
XLogP3.76
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108563) is N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2cccnn2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is UUXRBIPRJLVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-13-18(19(26-29-13)14-7-4-3-5-8-14)20(27)23-17-11-10-15(24-21(17)28-2)16-9-6-12-22-25-16/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).