4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one

C10H10FN3O2 — CID 91482320

IUPAC4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one
SMILESCN(Cc1ccc(F)nc1)c1coc(=O)[nH]1
InChIInChI=1S/C10H10FN3O2/c1-14(9-6-16-10(15)13-9)5-7-2-3-8(11)12-4-7/h2-4,6H,5H2,1H3,(H,13,15)
InChIKeyCBDMBOAHXHWYJD-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.14
Rot. Bonds3

About 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one

4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one (PubChem CID 91482320) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one
PubChem CID91482320
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one
SMILESCN(Cc1ccc(F)nc1)c1coc(=O)[nH]1
InChIInChI=1S/C10H10FN3O2/c1-14(9-6-16-10(15)13-9)5-7-2-3-8(11)12-4-7/h2-4,6H,5H2,1H3,(H,13,15)
InChIKeyCBDMBOAHXHWYJD-UHFFFAOYSA-N
XLogP1.14
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one (CID 91482320) is 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one is CN(Cc1ccc(F)nc1)c1coc(=O)[nH]1.
What is the InChIKey of 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one?
The InChIKey is CBDMBOAHXHWYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-14(9-6-16-10(15)13-9)5-7-2-3-8(11)12-4-7/h2-4,6H,5H2,1H3,(H,13,15).
What are the key properties of 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one?
4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one has a molecular weight of 223.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-3-pyridinyl)methyl-methylamino]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 91482320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).