3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

C24H26FN3O3 — CID 42682693

IUPAC3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3/c1-30-15-14-28(23(29)19-10-7-11-20(25)16-19)17-21-22(18-8-3-2-4-9-18)26-31-24(21)27-12-5-6-13-27/h2-4,7-11,16H,5-6,12-15,17H2,1H3
InChIKeyDXQGLVYOSFYZQP-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.37
Rot. Bonds8

About 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 42682693) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID42682693
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3/c1-30-15-14-28(23(29)19-10-7-11-20(25)16-19)17-21-22(18-8-3-2-4-9-18)26-31-24(21)27-12-5-6-13-27/h2-4,7-11,16H,5-6,12-15,17H2,1H3
InChIKeyDXQGLVYOSFYZQP-UHFFFAOYSA-N
XLogP4.37
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 42682693) is 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is COCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is DXQGLVYOSFYZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-30-15-14-28(23(29)19-10-7-11-20(25)16-19)17-21-22(18-8-3-2-4-9-18)26-31-24(21)27-12-5-6-13-27/h2-4,7-11,16H,5-6,12-15,17H2,1H3.
What are the key properties of 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxyethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 42682693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).