6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide

C19H19FN4O3 — CID 42629534

IUPAC6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)nn1
InChIInChI=1S/C19H19FN4O3/c1-11(2)21-19(25)16-8-9-17(23-22-16)26-10-15-12(3)27-24-18(15)13-4-6-14(20)7-5-13/h4-9,11H,10H2,1-3H3,(H,21,25)
InChIKeyBEGNGALMSSQPEX-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.30
Rot. Bonds6

About 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide

6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 42629534) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID42629534
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)nn1
InChIInChI=1S/C19H19FN4O3/c1-11(2)21-19(25)16-8-9-17(23-22-16)26-10-15-12(3)27-24-18(15)13-4-6-14(20)7-5-13/h4-9,11H,10H2,1-3H3,(H,21,25)
InChIKeyBEGNGALMSSQPEX-UHFFFAOYSA-N
XLogP3.30
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide (CID 42629534) is 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide is Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)nn1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is BEGNGALMSSQPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11(2)21-19(25)16-8-9-17(23-22-16)26-10-15-12(3)27-24-18(15)13-4-6-14(20)7-5-13/h4-9,11H,10H2,1-3H3,(H,21,25).
What are the key properties of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 42629534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).