1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate

C18H30FNO4 — CID 66893587

IUPAC1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate
SMILESC=CCOC(CC=C)CC1COC(C)(C)N1C(=O)OC(F)CCC
InChIInChI=1S/C18H30FNO4/c1-6-9-15(22-11-8-3)12-14-13-23-18(4,5)20(14)17(21)24-16(19)10-7-2/h6,8,14-16H,1,3,7,9-13H2,2,4-5H3
InChIKeyZRWRVWQJYOTJJY-UHFFFAOYSA-N
MW343.44 g/mol
LogP4.19
Rot. Bonds10

About 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate

1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 66893587) has the molecular formula C18H30FNO4 and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate
PubChem CID66893587
Molecular FormulaC18H30FNO4
Molecular Weight343.44 g/mol
Exact Mass343.22
IUPAC Name1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate
SMILESC=CCOC(CC=C)CC1COC(C)(C)N1C(=O)OC(F)CCC
InChIInChI=1S/C18H30FNO4/c1-6-9-15(22-11-8-3)12-14-13-23-18(4,5)20(14)17(21)24-16(19)10-7-2/h6,8,14-16H,1,3,7,9-13H2,2,4-5H3
InChIKeyZRWRVWQJYOTJJY-UHFFFAOYSA-N
XLogP4.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-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 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate (CID 66893587) is 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate is C=CCOC(CC=C)CC1COC(C)(C)N1C(=O)OC(F)CCC.
What is the InChIKey of 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZRWRVWQJYOTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO4/c1-6-9-15(22-11-8-3)12-14-13-23-18(4,5)20(14)17(21)24-16(19)10-7-2/h6,8,14-16H,1,3,7,9-13H2,2,4-5H3.
What are the key properties of 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate?
1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 343.44 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 66893587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).