6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine

C89H96F2N20O15 — CID 157352302

IUPAC6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine
SMILESC=C(NC1CCOCC1)c1ccc(OCc2c(-c3cnc(C)c(F)c3)noc2C)nc1.Cc1ccc(-c2noc(C3CC3)c2COc2ccc(C(=O)NC3CCOCC3)nn2)cn1.Cc1ccc(-c2noc(C3CC3)c2COc2ccc(C(=O)NC3CCOCC3)nn2)nn1.Cc1ccc(-c2noc(CF)c2COc2ccc(C(=O)NC3CCOCC3)nn2)cn1
InChIInChI=1S/C23H25FN4O3.C23H25N5O4.C22H24N6O4.C21H22FN5O4/c1-14(27-19-6-8-29-9-7-19)17-4-5-22(26-11-17)30-13-20-16(3)31-28-23(20)18-10-21(24)15(2)25-12-18;1-14-2-3-16(12-24-14)21-18(22(32-28-21)15-4-5-15)13-31-20-7-6-19(26-27-20)23(29)25-17-8-10-30-11-9-17;1-13-2-5-17(25-24-13)20-16(21(32-28-20)14-3-4-14)12-31-19-7-6-18(26-27-19)22(29)23-15-8-10-30-11-9-15;1-13-2-3-14(11-23-13)20-16(18(10-22)31-27-20)12-30-19-5-4-17(25-26-19)21(28)24-15-6-8-29-9-7-15/h4-5,10-12,19,27H,1,6-9,13H2,2-3H3;2-3,6-7,12,15,17H,4-5,8-11,13H2,1H3,(H,25,29);2,5-7,14-15H,3-4,8-12H2,1H3,(H,23,29);2-5,11,15H,6-10,12H2,1H3,(H,24,28)
InChIKeyBHRIHAPGRHDZEM-UHFFFAOYSA-N
MW1723.87 g/mol
LogP12.79
Rot. Bonds28

About 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine

6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine (PubChem CID 157352302) has the molecular formula C89H96F2N20O15 and a molecular weight of 1723.87 g/mol. Its IUPAC name is 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine.

Molecular Properties

Compound Name6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine
PubChem CID157352302
Molecular FormulaC89H96F2N20O15
Molecular Weight1723.87 g/mol
Exact Mass1722.73
IUPAC Name6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine
SMILESC=C(NC1CCOCC1)c1ccc(OCc2c(-c3cnc(C)c(F)c3)noc2C)nc1.Cc1ccc(-c2noc(C3CC3)c2COc2ccc(C(=O)NC3CCOCC3)nn2)cn1.Cc1ccc(-c2noc(C3CC3)c2COc2ccc(C(=O)NC3CCOCC3)nn2)nn1.Cc1ccc(-c2noc(CF)c2COc2ccc(C(=O)NC3CCOCC3)nn2)cn1
InChIInChI=1S/C23H25FN4O3.C23H25N5O4.C22H24N6O4.C21H22FN5O4/c1-14(27-19-6-8-29-9-7-19)17-4-5-22(26-11-17)30-13-20-16(3)31-28-23(20)18-10-21(24)15(2)25-12-18;1-14-2-3-16(12-24-14)21-18(22(32-28-21)15-4-5-15)13-31-20-7-6-19(26-27-20)23(29)25-17-8-10-30-11-9-17;1-13-2-5-17(25-24-13)20-16(21(32-28-20)14-3-4-14)12-31-19-7-6-18(26-27-19)22(29)23-15-8-10-30-11-9-15;1-13-2-3-14(11-23-13)20-16(18(10-22)31-27-20)12-30-19-5-4-17(25-26-19)21(28)24-15-6-8-29-9-7-15/h4-5,10-12,19,27H,1,6-9,13H2,2-3H3;2-3,6-7,12,15,17H,4-5,8-11,13H2,1H3,(H,25,29);2,5-7,14-15H,3-4,8-12H2,1H3,(H,23,29);2-5,11,15H,6-10,12H2,1H3,(H,24,28)
InChIKeyBHRIHAPGRHDZEM-UHFFFAOYSA-N
XLogP12.79
TPSA431.97 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001723.87
LogP ≤ 512.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine?
The IUPAC name of 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine (CID 157352302) is 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine.
What is the SMILES notation for 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine?
The canonical SMILES for 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine is C=C(NC1CCOCC1)c1ccc(OCc2c(-c3cnc(C)c(F)c3)noc2C)nc1.Cc1ccc(-c2noc(C3CC3)c2COc2ccc(C(=O)NC3CCOCC3)nn2)cn1.Cc1ccc(-c2noc(C3CC3)c2COc2ccc(C(=O)NC3CCOCC3)nn2)nn1.Cc1ccc(-c2noc(CF)c2COc2ccc(C(=O)NC3CCOCC3)nn2)cn1.
What is the InChIKey of 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine?
The InChIKey is BHRIHAPGRHDZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3.C23H25N5O4.C22H24N6O4.C21H22FN5O4/c1-14(27-19-6-8-29-9-7-19)17-4-5-22(26-11-17)30-13-20-16(3)31-28-23(20)18-10-21(24)15(2)25-12-18;1-14-2-3-16(12-24-14)21-18(22(32-28-21)15-4-5-15)13-31-20-7-6-19(26-27-20)23(29)25-17-8-10-30-11-9-17;1-13-2-5-17(25-24-13)20-16(21(32-28-20)14-3-4-14)12-31-19-7-6-18(26-27-19)22(29)23-15-8-10-30-11-9-15;1-13-2-3-14(11-23-13)20-16(18(10-22)31-27-20)12-30-19-5-4-17(25-26-19)21(28)24-15-6-8-29-9-7-15/h4-5,10-12,19,27H,1,6-9,13H2,2-3H3;2-3,6-7,12,15,17H,4-5,8-11,13H2,1H3,(H,25,29);2,5-7,14-15H,3-4,8-12H2,1H3,(H,23,29);2-5,11,15H,6-10,12H2,1H3,(H,24,28).
What are the key properties of 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine?
6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine has a molecular weight of 1723.87 g/mol, XLogP of 12.79, 28 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-cyclopropyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;6-[[5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[3-(5-fluoro-6-methyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine is sourced from PubChem (CID 157352302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).