N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide

C13H24FN3O — CID 59883073

IUPACN'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
SMILESC/C(N)=N\CC/C(F)=C\C[C@H]1COC(C)(C)N1C
InChIInChI=1S/C13H24FN3O/c1-10(15)16-8-7-11(14)5-6-12-9-18-13(2,3)17(12)4/h5,12H,6-9H2,1-4H3,(H2,15,16)/b11-5+/t12-/m0/s1
InChIKeyIGUIDNZXNVAFAF-JVOXIWMLSA-N
MW257.35 g/mol
LogP2.06
Rot. Bonds5

About N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide

N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide (PubChem CID 59883073) has the molecular formula C13H24FN3O and a molecular weight of 257.35 g/mol. Its IUPAC name is N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
PubChem CID59883073
Molecular FormulaC13H24FN3O
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC NameN'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
SMILESC/C(N)=N\CC/C(F)=C\C[C@H]1COC(C)(C)N1C
InChIInChI=1S/C13H24FN3O/c1-10(15)16-8-7-11(14)5-6-12-9-18-13(2,3)17(12)4/h5,12H,6-9H2,1-4H3,(H2,15,16)/b11-5+/t12-/m0/s1
InChIKeyIGUIDNZXNVAFAF-JVOXIWMLSA-N
XLogP2.06
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 59883049
tert-butyl (4S)-4-[(Z)-5-(1-aminoethylideneamino)-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883064
N'-[(Z)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
CID 59883067
(Z)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 59883071
3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 90832967
tert-butyl (4S)-4-[5-(1-aminoethylideneamino)-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91210723
N'-[3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
CID 91395293
tert-butyl (4S)-4-[(E)-5-(1-aminoethylideneamino)-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 145841526

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide (CID 59883073) is N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide is C/C(N)=N\CC/C(F)=C\C[C@H]1COC(C)(C)N1C.
What is the InChIKey of N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide?
The InChIKey is IGUIDNZXNVAFAF-JVOXIWMLSA-N. The full InChI is InChI=1S/C13H24FN3O/c1-10(15)16-8-7-11(14)5-6-12-9-18-13(2,3)17(12)4/h5,12H,6-9H2,1-4H3,(H2,15,16)/b11-5+/t12-/m0/s1.
What are the key properties of N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide?
N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide has a molecular weight of 257.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide is sourced from PubChem (CID 59883073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).