6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine

C18H11F3N4O — CID 70696405

IUPAC6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine
SMILESNc1cncc(-c2ccc3noc(-c4ccc(C(F)(F)F)cc4)c3c2)n1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)12-4-1-10(2-5-12)17-13-7-11(3-6-14(13)25-26-17)15-8-23-9-16(22)24-15/h1-9H,(H2,22,24)
InChIKeyLNGSRZSOKXVVCC-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.55
Rot. Bonds2

About 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine

6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine (PubChem CID 70696405) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine
PubChem CID70696405
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine
SMILESNc1cncc(-c2ccc3noc(-c4ccc(C(F)(F)F)cc4)c3c2)n1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)12-4-1-10(2-5-12)17-13-7-11(3-6-14(13)25-26-17)15-8-23-9-16(22)24-15/h1-9H,(H2,22,24)
InChIKeyLNGSRZSOKXVVCC-UHFFFAOYSA-N
XLogP4.55
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine?
The IUPAC name of 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine (CID 70696405) is 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine is Nc1cncc(-c2ccc3noc(-c4ccc(C(F)(F)F)cc4)c3c2)n1.
What is the InChIKey of 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine?
The InChIKey is LNGSRZSOKXVVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)12-4-1-10(2-5-12)17-13-7-11(3-6-14(13)25-26-17)15-8-23-9-16(22)24-15/h1-9H,(H2,22,24).
What are the key properties of 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine?
6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine has a molecular weight of 356.31 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 70696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).