4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one

C12H10F3N3O2 — CID 59570289

IUPAC4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cc(C(F)(F)F)ccn2)n1CC1CC1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-4-16-9(5-8)10-17-20-11(19)18(10)6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyQYFNHGWSHMSCOE-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.33
Rot. Bonds3

About 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one

4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one (PubChem CID 59570289) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one
PubChem CID59570289
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cc(C(F)(F)F)ccn2)n1CC1CC1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-4-16-9(5-8)10-17-20-11(19)18(10)6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyQYFNHGWSHMSCOE-UHFFFAOYSA-N
XLogP2.33
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one (CID 59570289) is 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2cc(C(F)(F)F)ccn2)n1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
The InChIKey is QYFNHGWSHMSCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-4-16-9(5-8)10-17-20-11(19)18(10)6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one has a molecular weight of 285.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 59570289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).