3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide

C18H22FN3O4 — CID 139347544

IUPAC3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide
SMILESCONC(=O)[C@H]1C=C[C@@H](N2OC(C)(C(N)=O)CC2c2cccc(F)c2)C1
InChIInChI=1S/C18H22FN3O4/c1-18(17(20)24)10-15(11-4-3-5-13(19)8-11)22(26-18)14-7-6-12(9-14)16(23)21-25-2/h3-8,12,14-15H,9-10H2,1-2H3,(H2,20,24)(H,21,23)/t12-,14+,15?,18?/m0/s1
InChIKeyRXHHDISFWVJNJG-DPWBBVDGSA-N
MW363.39 g/mol
LogP1.37
Rot. Bonds5

About 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide

3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 139347544) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID139347544
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide
SMILESCONC(=O)[C@H]1C=C[C@@H](N2OC(C)(C(N)=O)CC2c2cccc(F)c2)C1
InChIInChI=1S/C18H22FN3O4/c1-18(17(20)24)10-15(11-4-3-5-13(19)8-11)22(26-18)14-7-6-12(9-14)16(23)21-25-2/h3-8,12,14-15H,9-10H2,1-2H3,(H2,20,24)(H,21,23)/t12-,14+,15?,18?/m0/s1
InChIKeyRXHHDISFWVJNJG-DPWBBVDGSA-N
XLogP1.37
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide (CID 139347544) is 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide is CONC(=O)[C@H]1C=C[C@@H](N2OC(C)(C(N)=O)CC2c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is RXHHDISFWVJNJG-DPWBBVDGSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-18(17(20)24)10-15(11-4-3-5-13(19)8-11)22(26-18)14-7-6-12(9-14)16(23)21-25-2/h3-8,12,14-15H,9-10H2,1-2H3,(H2,20,24)(H,21,23)/t12-,14+,15?,18?/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide?
3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[(1S,4R)-4-(methoxycarbamoyl)cyclopent-2-en-1-yl]-5-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 139347544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).