N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide

C18H17F3N6O3 — CID 164936178

IUPACN-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
SMILESN[C@@H](CO)CNC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C18H17F3N6O3/c19-18(20,21)11-3-1-10(2-4-11)14-8-24-17(30-14)25-15-6-5-13(26-27-15)16(29)23-7-12(22)9-28/h1-6,8,12,28H,7,9,22H2,(H,23,29)(H,24,25,27)/t12-/m1/s1
InChIKeyKWDDCKVFKQNJHE-GFCCVEGCSA-N
MW422.37 g/mol
LogP1.94
Rot. Bonds7

About N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide

N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide (PubChem CID 164936178) has the molecular formula C18H17F3N6O3 and a molecular weight of 422.37 g/mol. Its IUPAC name is N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
PubChem CID164936178
Molecular FormulaC18H17F3N6O3
Molecular Weight422.37 g/mol
Exact Mass422.13
IUPAC NameN-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
SMILESN[C@@H](CO)CNC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C18H17F3N6O3/c19-18(20,21)11-3-1-10(2-4-11)14-8-24-17(30-14)25-15-6-5-13(26-27-15)16(29)23-7-12(22)9-28/h1-6,8,12,28H,7,9,22H2,(H,23,29)(H,24,25,27)/t12-/m1/s1
InChIKeyKWDDCKVFKQNJHE-GFCCVEGCSA-N
XLogP1.94
TPSA139.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
CID 155585177
(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
N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167659066
N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
CID 167597183
N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide
CID 167557307
N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585279
5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
CID 155585282
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585257
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide (CID 164936178) is N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide is N[C@@H](CO)CNC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1.
What is the InChIKey of N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The InChIKey is KWDDCKVFKQNJHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17F3N6O3/c19-18(20,21)11-3-1-10(2-4-11)14-8-24-17(30-14)25-15-6-5-13(26-27-15)16(29)23-7-12(22)9-28/h1-6,8,12,28H,7,9,22H2,(H,23,29)(H,24,25,27)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide has a molecular weight of 422.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 164936178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).