4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine

C20H16FN5O — CID 53182428

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccccc1CNc1nnc(-c2nc(C3CC3)no2)c2ccccc12
InChIInChI=1S/C20H16FN5O/c21-16-8-4-1-5-13(16)11-22-19-15-7-3-2-6-14(15)17(24-25-19)20-23-18(26-27-20)12-9-10-12/h1-8,12H,9-11H2,(H,22,25)
InChIKeyGIOJJLKYEYODIB-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.31
Rot. Bonds5

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine (PubChem CID 53182428) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine
PubChem CID53182428
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccccc1CNc1nnc(-c2nc(C3CC3)no2)c2ccccc12
InChIInChI=1S/C20H16FN5O/c21-16-8-4-1-5-13(16)11-22-19-15-7-3-2-6-14(15)17(24-25-19)20-23-18(26-27-20)12-9-10-12/h1-8,12H,9-11H2,(H,22,25)
InChIKeyGIOJJLKYEYODIB-UHFFFAOYSA-N
XLogP4.31
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine (CID 53182428) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine is Fc1ccccc1CNc1nnc(-c2nc(C3CC3)no2)c2ccccc12.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine?
The InChIKey is GIOJJLKYEYODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-8-4-1-5-13(16)11-22-19-15-7-3-2-6-14(15)17(24-25-19)20-23-18(26-27-20)12-9-10-12/h1-8,12H,9-11H2,(H,22,25).
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine has a molecular weight of 361.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-fluorophenyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 53182428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).