5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one

C19H16FN5O2 — CID 170311239

IUPAC5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCC(Nc1ncc(-c2ccc3oc(=O)n(C)c3c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2/c1-11(12-3-6-14(20)7-4-12)22-18-21-10-15(23-24-18)13-5-8-17-16(9-13)25(2)19(26)27-17/h3-11H,1-2H3,(H,21,22,24)
InChIKeyYMMHFOXSAMBHAZ-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.30
Rot. Bonds4

About 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one

5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 170311239) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID170311239
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCC(Nc1ncc(-c2ccc3oc(=O)n(C)c3c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2/c1-11(12-3-6-14(20)7-4-12)22-18-21-10-15(23-24-18)13-5-8-17-16(9-13)25(2)19(26)27-17/h3-11H,1-2H3,(H,21,22,24)
InChIKeyYMMHFOXSAMBHAZ-UHFFFAOYSA-N
XLogP3.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one (CID 170311239) is 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one is CC(Nc1ncc(-c2ccc3oc(=O)n(C)c3c2)nn1)c1ccc(F)cc1.
What is the InChIKey of 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is YMMHFOXSAMBHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-11(12-3-6-14(20)7-4-12)22-18-21-10-15(23-24-18)13-5-8-17-16(9-13)25(2)19(26)27-17/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one?
5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 365.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 170311239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).