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

C25H28FN3O2 — CID 24718082

IUPAC2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H28FN3O2/c1-18(2)16-29(24(30)20-12-6-7-13-22(20)26)17-21-23(19-10-4-3-5-11-19)27-31-25(21)28-14-8-9-15-28/h3-7,10-13,18H,8-9,14-17H2,1-2H3
InChIKeyBEDILXOMBLWUFN-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.38
Rot. Bonds7

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

2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 24718082) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID24718082
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H28FN3O2/c1-18(2)16-29(24(30)20-12-6-7-13-22(20)26)17-21-23(19-10-4-3-5-11-19)27-31-25(21)28-14-8-9-15-28/h3-7,10-13,18H,8-9,14-17H2,1-2H3
InChIKeyBEDILXOMBLWUFN-UHFFFAOYSA-N
XLogP5.38
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 24718082) is 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is BEDILXOMBLWUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-18(2)16-29(24(30)20-12-6-7-13-22(20)26)17-21-23(19-10-4-3-5-11-19)27-31-25(21)28-14-8-9-15-28/h3-7,10-13,18H,8-9,14-17H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 421.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24718082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).