[(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

C11H17FN2O3 — CID 167387492

IUPAC[(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESC/C(CF)=N\OC(=O)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C11H17FN2O3/c1-7(2)9-5-11(4,17-14-9)10(15)16-13-8(3)6-12/h7H,5-6H2,1-4H3/b13-8+
InChIKeyUZTLHDIFKPVISZ-MDWZMJQESA-N
MW244.27 g/mol
LogP2.07
Rot. Bonds4

About [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

[(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167387492) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167387492
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name[(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESC/C(CF)=N\OC(=O)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C11H17FN2O3/c1-7(2)9-5-11(4,17-14-9)10(15)16-13-8(3)6-12/h7H,5-6H2,1-4H3/b13-8+
InChIKeyUZTLHDIFKPVISZ-MDWZMJQESA-N
XLogP2.07
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-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 [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167387492) is [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is C/C(CF)=N\OC(=O)C1(C)CC(C(C)C)=NO1.
What is the InChIKey of [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is UZTLHDIFKPVISZ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-7(2)9-5-11(4,17-14-9)10(15)16-13-8(3)6-12/h7H,5-6H2,1-4H3/b13-8+.
What are the key properties of [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
[(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluoropropan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167387492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).