N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine

C21H19FN4O — CID 163712938

IUPACN-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine
SMILESCc1nc2ccc(-c3ccc(NCC(C)c4ccc(F)cc4)nn3)cc2o1
InChIInChI=1S/C21H19FN4O/c1-13(15-3-6-17(22)7-4-15)12-23-21-10-9-18(25-26-21)16-5-8-19-20(11-16)27-14(2)24-19/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyKKWDONZAVVISOB-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.95
Rot. Bonds5

About N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine

N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine (PubChem CID 163712938) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine
PubChem CID163712938
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine
SMILESCc1nc2ccc(-c3ccc(NCC(C)c4ccc(F)cc4)nn3)cc2o1
InChIInChI=1S/C21H19FN4O/c1-13(15-3-6-17(22)7-4-15)12-23-21-10-9-18(25-26-21)16-5-8-19-20(11-16)27-14(2)24-19/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyKKWDONZAVVISOB-UHFFFAOYSA-N
XLogP4.95
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine?
The IUPAC name of N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine (CID 163712938) is N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine is Cc1nc2ccc(-c3ccc(NCC(C)c4ccc(F)cc4)nn3)cc2o1.
What is the InChIKey of N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine?
The InChIKey is KKWDONZAVVISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13(15-3-6-17(22)7-4-15)12-23-21-10-9-18(25-26-21)16-5-8-19-20(11-16)27-14(2)24-19/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine?
N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine has a molecular weight of 362.41 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyridazin-3-amine is sourced from PubChem (CID 163712938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).