(2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine

C44H51Cl2N13O12 — CID 167646744

About (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine

(2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine (PubChem CID 167646744) has the molecular formula C44H51Cl2N13O12 and a molecular weight of 1024.88 g/mol. Its IUPAC name is (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine
• PubChem CID: 167646744
• Molecular Formula: C44H51Cl2N13O12
• Molecular Weight: 1024.88 g/mol
• Exact Mass: 1023.32
• IUPAC Name: (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine
• SMILES: Cc1ccc(-c2cnc(N)o2)cc1.Cc1ccc(-c2cnc(Nc3ccc(C(=O)NC[C@@H](O)CO)nn3)o2)cc1.NC[C@@H](O)CO.O=C(NC[C@@H](O)CO)c1ccc(Cl)nn1.O=C(O)c1ccc(Cl)nn1
• InChI: InChI=1S/C18H19N5O4.C10H10N2O.C8H10ClN3O3.C5H3ClN2O2.C3H9NO2/c1-11-2-4-12(5-3-11)15-9-20-18(27-15)21-16-7-6-14(22-23-16)17(26)19-8-13(25)10-24;1-7-2-4-8(5-3-7)9-6-12-10(11)13-9;9-7-2-1-6(11-12-7)8(15)10-3-5(14)4-13;6-4-2-1-3(5(9)10)7-8-4;4-1-3(6)2-5/h2-7,9,13,24-25H,8,10H2,1H3,(H,19,26)(H,20,21,23);2-6H,1H3,(H2,11,12);1-2,5,13-14H,3-4H2,(H,10,15);1-2H,(H,9,10);3,5-6H,1-2,4H2/t13-;;5-;;3-/m1.1.1/s1
• InChIKey: PZDUAMLPGXKJRL-OWRRUYIVSA-N
• XLogP: 1.84
• TPSA: 410.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1024.88
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine?

The IUPAC name of (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine (CID 167646744) is (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine.

What is the SMILES notation for (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine?

The canonical SMILES for (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine is Cc1ccc(-c2cnc(N)o2)cc1.Cc1ccc(-c2cnc(Nc3ccc(C(=O)NC[C@@H](O)CO)nn3)o2)cc1.NC[C@@H](O)CO.O=C(NC[C@@H](O)CO)c1ccc(Cl)nn1.O=C(O)c1ccc(Cl)nn1.

What is the InChIKey of (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine?

The InChIKey is PZDUAMLPGXKJRL-OWRRUYIVSA-N. The full InChI is InChI=1S/C18H19N5O4.C10H10N2O.C8H10ClN3O3.C5H3ClN2O2.C3H9NO2/c1-11-2-4-12(5-3-11)15-9-20-18(27-15)21-16-7-6-14(22-23-16)17(26)19-8-13(25)10-24;1-7-2-4-8(5-3-7)9-6-12-10(11)13-9;9-7-2-1-6(11-12-7)8(15)10-3-5(14)4-13;6-4-2-1-3(5(9)10)7-8-4;4-1-3(6)2-5/h2-7,9,13,24-25H,8,10H2,1H3,(H,19,26)(H,20,21,23);2-6H,1H3,(H2,11,12);1-2,5,13-14H,3-4H2,(H,10,15);1-2H,(H,9,10);3,5-6H,1-2,4H2/t13-;;5-;;3-/m1.1.1/s1.

What are the key properties of (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine?

(2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine has a molecular weight of 1024.88 g/mol, XLogP of 1.84, 15 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-aminopropane-1,2-diol;6-chloro-N-[(2R)-2,3-dihydroxypropyl]pyridazine-3-carboxamide;6-chloropyridazine-3-carboxylic acid;N-[(2R)-2,3-dihydroxypropyl]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;5-(4-methylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 167646744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).