N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C19H18N4O3 — CID 99698756

IUPACN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C19H18N4O3/c1-11-10-15(24)17(21-23(11)14-6-4-3-5-7-14)19(25)20-16-12(2)22-26-18(16)13-8-9-13/h3-7,10,13H,8-9H2,1-2H3,(H,20,25)
InChIKeyBTFOARLBWOLJMR-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.97
Rot. Bonds4

About N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 99698756) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID99698756
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C19H18N4O3/c1-11-10-15(24)17(21-23(11)14-6-4-3-5-7-14)19(25)20-16-12(2)22-26-18(16)13-8-9-13/h3-7,10,13H,8-9H2,1-2H3,(H,20,25)
InChIKeyBTFOARLBWOLJMR-UHFFFAOYSA-N
XLogP2.97
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 99698756) is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1noc(C2CC2)c1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is BTFOARLBWOLJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-10-15(24)17(21-23(11)14-6-4-3-5-7-14)19(25)20-16-12(2)22-26-18(16)13-8-9-13/h3-7,10,13H,8-9H2,1-2H3,(H,20,25).
What are the key properties of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 99698756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).