2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide

C9H13FN2O2 — CID 131000688

IUPAC2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCc1nocc1CNC(=O)C(C)(C)F
InChIInChI=1S/C9H13FN2O2/c1-6-7(5-14-12-6)4-11-8(13)9(2,3)10/h5H,4H2,1-3H3,(H,11,13)
InChIKeyYUBNKIABSXIOBK-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.35
Rot. Bonds3

About 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide

2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide (PubChem CID 131000688) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide
PubChem CID131000688
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCc1nocc1CNC(=O)C(C)(C)F
InChIInChI=1S/C9H13FN2O2/c1-6-7(5-14-12-6)4-11-8(13)9(2,3)10/h5H,4H2,1-3H3,(H,11,13)
InChIKeyYUBNKIABSXIOBK-UHFFFAOYSA-N
XLogP1.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide (CID 131000688) is 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide is Cc1nocc1CNC(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide?
The InChIKey is YUBNKIABSXIOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-6-7(5-14-12-6)4-11-8(13)9(2,3)10/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide?
2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide has a molecular weight of 200.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 131000688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).