(2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide

C9H12F2N2O2 — CID 164637263

IUPAC(2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)[C@@H](C)C(C)(F)F)o1
InChIInChI=1S/C9H12F2N2O2/c1-5-4-12-8(15-5)13-7(14)6(2)9(3,10)11/h4,6H,1-3H3,(H,12,13,14)/t6-/m1/s1
InChIKeyXSZOPOJWDHKMMI-ZCFIWIBFSA-N
MW218.20 g/mol
LogP2.21
Rot. Bonds3

About (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide

(2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide (PubChem CID 164637263) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide
PubChem CID164637263
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name(2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)[C@@H](C)C(C)(F)F)o1
InChIInChI=1S/C9H12F2N2O2/c1-5-4-12-8(15-5)13-7(14)6(2)9(3,10)11/h4,6H,1-3H3,(H,12,13,14)/t6-/m1/s1
InChIKeyXSZOPOJWDHKMMI-ZCFIWIBFSA-N
XLogP2.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide (CID 164637263) is (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide is Cc1cnc(NC(=O)[C@@H](C)C(C)(F)F)o1.
What is the InChIKey of (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is XSZOPOJWDHKMMI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-5-4-12-8(15-5)13-7(14)6(2)9(3,10)11/h4,6H,1-3H3,(H,12,13,14)/t6-/m1/s1.
What are the key properties of (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide?
(2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 218.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 164637263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).