N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine

C6H7F3N2O — CID 154012170

IUPACN,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine
SMILESCNc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3-11-5(10-2)4(12-3)6(7,8)9/h10H,1-2H3
InChIKeyVBQUKKDUMAQFHK-UHFFFAOYSA-N
MW180.13 g/mol
LogP2.04
Rot. Bonds1

About N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine

N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine (PubChem CID 154012170) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine
PubChem CID154012170
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC NameN,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine
SMILESCNc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3-11-5(10-2)4(12-3)6(7,8)9/h10H,1-2H3
InChIKeyVBQUKKDUMAQFHK-UHFFFAOYSA-N
XLogP2.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine?
The IUPAC name of N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine (CID 154012170) is N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine.
What is the SMILES notation for N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine?
The canonical SMILES for N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine is CNc1nc(C)oc1C(F)(F)F.
What is the InChIKey of N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine?
The InChIKey is VBQUKKDUMAQFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-11-5(10-2)4(12-3)6(7,8)9/h10H,1-2H3.
What are the key properties of N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine?
N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine has a molecular weight of 180.13 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazol-4-amine is sourced from PubChem (CID 154012170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).