1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine

C12H11F3N2O — CID 81198454

IUPAC1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2nc3cc(C(F)(F)F)ccc3o2)CCC1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)7-2-3-9-8(6-7)17-10(18-9)11(16)4-1-5-11/h2-3,6H,1,4-5,16H2
InChIKeyVCRKKJWLJGVXMH-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.18
Rot. Bonds1

About 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine

1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine (PubChem CID 81198454) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine
PubChem CID81198454
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2nc3cc(C(F)(F)F)ccc3o2)CCC1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)7-2-3-9-8(6-7)17-10(18-9)11(16)4-1-5-11/h2-3,6H,1,4-5,16H2
InChIKeyVCRKKJWLJGVXMH-UHFFFAOYSA-N
XLogP3.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine (CID 81198454) is 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine is NC1(c2nc3cc(C(F)(F)F)ccc3o2)CCC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine?
The InChIKey is VCRKKJWLJGVXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)7-2-3-9-8(6-7)17-10(18-9)11(16)4-1-5-11/h2-3,6H,1,4-5,16H2.
What are the key properties of 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine?
1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine has a molecular weight of 256.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 81198454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).