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

C25H28FN3O3 — CID 46027771

IUPAC4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H28FN3O3/c1-31-17-7-16-29(24(30)20-10-12-21(26)13-11-20)18-22-23(19-8-3-2-4-9-19)27-32-25(22)28-14-5-6-15-28/h2-4,8-13H,5-7,14-18H2,1H3
InChIKeyUMVAWJWDCIIAHN-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.76
Rot. Bonds9

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

4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 46027771) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID46027771
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H28FN3O3/c1-31-17-7-16-29(24(30)20-10-12-21(26)13-11-20)18-22-23(19-8-3-2-4-9-19)27-32-25(22)28-14-5-6-15-28/h2-4,8-13H,5-7,14-18H2,1H3
InChIKeyUMVAWJWDCIIAHN-UHFFFAOYSA-N
XLogP4.76
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 46027771) is 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is UMVAWJWDCIIAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-31-17-7-16-29(24(30)20-10-12-21(26)13-11-20)18-22-23(19-8-3-2-4-9-19)27-32-25(22)28-14-5-6-15-28/h2-4,8-13H,5-7,14-18H2,1H3.
What are the key properties of 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 46027771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).