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JTAHJZOVHSBCCR-UHFFFAOYSA-N

C11H8F3N3O2 — CID 118862336

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-(1,3-oxazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc(-c2cnco2)n1
InChIInChI=1S/C11H8F3N3O2/c1-6(18)16-10-3-7(11(12,13)14)2-8(17-10)9-4-15-5-19-9/h2-5H,1H3,(H,16,17,18)
InChIKeyJTAHJZOVHSBCCR-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.71
Rot. Bonds2

About JTAHJZOVHSBCCR-UHFFFAOYSA-N

JTAHJZOVHSBCCR-UHFFFAOYSA-N (PubChem CID 118862336) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[6-(1,3-oxazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameJTAHJZOVHSBCCR-UHFFFAOYSA-N
PubChem CID118862336
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-[6-(1,3-oxazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc(-c2cnco2)n1
InChIInChI=1S/C11H8F3N3O2/c1-6(18)16-10-3-7(11(12,13)14)2-8(17-10)9-4-15-5-19-9/h2-5H,1H3,(H,16,17,18)
InChIKeyJTAHJZOVHSBCCR-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of JTAHJZOVHSBCCR-UHFFFAOYSA-N?
The IUPAC name of JTAHJZOVHSBCCR-UHFFFAOYSA-N (CID 118862336) is N-[6-(1,3-oxazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for JTAHJZOVHSBCCR-UHFFFAOYSA-N?
The canonical SMILES for JTAHJZOVHSBCCR-UHFFFAOYSA-N is CC(=O)Nc1cc(C(F)(F)F)cc(-c2cnco2)n1.
What is the InChIKey of JTAHJZOVHSBCCR-UHFFFAOYSA-N?
The InChIKey is JTAHJZOVHSBCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6(18)16-10-3-7(11(12,13)14)2-8(17-10)9-4-15-5-19-9/h2-5H,1H3,(H,16,17,18).
What are the key properties of JTAHJZOVHSBCCR-UHFFFAOYSA-N?
JTAHJZOVHSBCCR-UHFFFAOYSA-N has a molecular weight of 271.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for JTAHJZOVHSBCCR-UHFFFAOYSA-N is sourced from PubChem (CID 118862336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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