6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine

C17H15F3N4O2 — CID 70924865

IUPAC6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1C(F)(F)F
InChIInChI=1S/C17H15F3N4O2/c1-2-25-16-15(17(18,19)20)12(21)7-14(24-16)23-11-5-3-10(4-6-11)13-8-22-9-26-13/h3-9H,2H2,1H3,(H3,21,23,24)
InChIKeyMQBCMXIFMWZQSM-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.48
Rot. Bonds5

About 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine

6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 70924865) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID70924865
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1C(F)(F)F
InChIInChI=1S/C17H15F3N4O2/c1-2-25-16-15(17(18,19)20)12(21)7-14(24-16)23-11-5-3-10(4-6-11)13-8-22-9-26-13/h3-9H,2H2,1H3,(H3,21,23,24)
InChIKeyMQBCMXIFMWZQSM-UHFFFAOYSA-N
XLogP4.48
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine (CID 70924865) is 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine is CCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1C(F)(F)F.
What is the InChIKey of 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is MQBCMXIFMWZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-2-25-16-15(17(18,19)20)12(21)7-14(24-16)23-11-5-3-10(4-6-11)13-8-22-9-26-13/h3-9H,2H2,1H3,(H3,21,23,24).
What are the key properties of 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 364.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 70924865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).