4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide

C18H20FN3O4 — CID 164642585

IUPAC4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOCC[C@]1(NC(=O)c2ccc(F)cc2)CCN(C(=O)c2cnco2)C1
InChIInChI=1S/C18H20FN3O4/c1-25-9-7-18(21-16(23)13-2-4-14(19)5-3-13)6-8-22(11-18)17(24)15-10-20-12-26-15/h2-5,10,12H,6-9,11H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyFRRSJXMVNCHAKI-GOSISDBHSA-N
MW361.37 g/mol
LogP1.86
Rot. Bonds6

About 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide

4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 164642585) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID164642585
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOCC[C@]1(NC(=O)c2ccc(F)cc2)CCN(C(=O)c2cnco2)C1
InChIInChI=1S/C18H20FN3O4/c1-25-9-7-18(21-16(23)13-2-4-14(19)5-3-13)6-8-22(11-18)17(24)15-10-20-12-26-15/h2-5,10,12H,6-9,11H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyFRRSJXMVNCHAKI-GOSISDBHSA-N
XLogP1.86
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide 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 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide (CID 164642585) is 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide is COCC[C@]1(NC(=O)c2ccc(F)cc2)CCN(C(=O)c2cnco2)C1.
What is the InChIKey of 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is FRRSJXMVNCHAKI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-25-9-7-18(21-16(23)13-2-4-14(19)5-3-13)6-8-22(11-18)17(24)15-10-20-12-26-15/h2-5,10,12H,6-9,11H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 361.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 164642585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).