4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine

C10H9F3N2O — CID 59323675

IUPAC4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine
SMILESCC1(c2c(F)ccc(F)c2F)COC(N)=N1
InChIInChI=1S/C10H9F3N2O/c1-10(4-16-9(14)15-10)7-5(11)2-3-6(12)8(7)13/h2-3H,4H2,1H3,(H2,14,15)
InChIKeySEZNKCNQUDQPKL-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.66
Rot. Bonds1

About 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine

4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine (PubChem CID 59323675) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine
PubChem CID59323675
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine
SMILESCC1(c2c(F)ccc(F)c2F)COC(N)=N1
InChIInChI=1S/C10H9F3N2O/c1-10(4-16-9(14)15-10)7-5(11)2-3-6(12)8(7)13/h2-3H,4H2,1H3,(H2,14,15)
InChIKeySEZNKCNQUDQPKL-UHFFFAOYSA-N
XLogP1.66
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine (CID 59323675) is 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine is CC1(c2c(F)ccc(F)c2F)COC(N)=N1.
What is the InChIKey of 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is SEZNKCNQUDQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-10(4-16-9(14)15-10)7-5(11)2-3-6(12)8(7)13/h2-3H,4H2,1H3,(H2,14,15).
What are the key properties of 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine?
4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 230.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).