7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one

C11H10F3N3O3 — CID 118019253

IUPAC7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one
SMILESO=C1N2CCOC2C(O)N1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)6-1-2-15-7(5-6)17-8(18)9-16(10(17)19)3-4-20-9/h1-2,5,8-9,18H,3-4H2
InChIKeyNDHNGQSHMJELOM-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.02
Rot. Bonds1

About 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one

7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one (PubChem CID 118019253) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one
PubChem CID118019253
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one
SMILESO=C1N2CCOC2C(O)N1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)6-1-2-15-7(5-6)17-8(18)9-16(10(17)19)3-4-20-9/h1-2,5,8-9,18H,3-4H2
InChIKeyNDHNGQSHMJELOM-UHFFFAOYSA-N
XLogP1.02
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one?
The IUPAC name of 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one (CID 118019253) is 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one.
What is the SMILES notation for 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one?
The canonical SMILES for 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one is O=C1N2CCOC2C(O)N1c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one?
The InChIKey is NDHNGQSHMJELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)6-1-2-15-7(5-6)17-8(18)9-16(10(17)19)3-4-20-9/h1-2,5,8-9,18H,3-4H2.
What are the key properties of 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one?
7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one has a molecular weight of 289.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[4-(trifluoromethyl)-2-pyridinyl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one is sourced from PubChem (CID 118019253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).