methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate

C7H10FNO3 — CID 102002991

IUPACmethyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1N=CO[C@]1(C)CF
InChIInChI=1S/C7H10FNO3/c1-7(3-8)5(6(10)11-2)9-4-12-7/h4-5H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyBZKZZXKINOVCRC-IYSWYEEDSA-N
MW175.16 g/mol
LogP0.31
Rot. Bonds2

About methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate

methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate (PubChem CID 102002991) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate
PubChem CID102002991
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Namemethyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1N=CO[C@]1(C)CF
InChIInChI=1S/C7H10FNO3/c1-7(3-8)5(6(10)11-2)9-4-12-7/h4-5H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyBZKZZXKINOVCRC-IYSWYEEDSA-N
XLogP0.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate (CID 102002991) is methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate is COC(=O)[C@H]1N=CO[C@]1(C)CF.
What is the InChIKey of methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate?
The InChIKey is BZKZZXKINOVCRC-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10FNO3/c1-7(3-8)5(6(10)11-2)9-4-12-7/h4-5H,3H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate?
methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate has a molecular weight of 175.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5S)-5-(fluoromethyl)-5-methyl-4H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102002991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).