6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

C20H14F3N3O — CID 45484958

IUPAC6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cc3)noc2c1
InChIInChI=1S/C20H14F3N3O/c1-12-3-2-10-24-18(12)13-4-9-16-17(11-13)27-26-19(16)25-15-7-5-14(6-8-15)20(21,22)23/h2-11H,1H3,(H,25,26)
InChIKeySXJAHHQMDLEPCN-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.96
Rot. Bonds3

About 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 45484958) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
PubChem CID45484958
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cc3)noc2c1
InChIInChI=1S/C20H14F3N3O/c1-12-3-2-10-24-18(12)13-4-9-16-17(11-13)27-26-19(16)25-15-7-5-14(6-8-15)20(21,22)23/h2-11H,1H3,(H,25,26)
InChIKeySXJAHHQMDLEPCN-UHFFFAOYSA-N
XLogP5.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 45484958) is 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is Cc1cccnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cc3)noc2c1.
What is the InChIKey of 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The InChIKey is SXJAHHQMDLEPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-12-3-2-10-24-18(12)13-4-9-16-17(11-13)27-26-19(16)25-15-7-5-14(6-8-15)20(21,22)23/h2-11H,1H3,(H,25,26).
What are the key properties of 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 369.35 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).