2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide

C26H25FN2O4 — CID 42790198

IUPAC2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C2=NOC(CN(Cc3cccc(OC)c3)C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C26H25FN2O4/c1-31-20-12-10-19(11-13-20)25-15-22(33-28-25)17-29(16-18-6-5-7-21(14-18)32-2)26(30)23-8-3-4-9-24(23)27/h3-14,22H,15-17H2,1-2H3
InChIKeyHXNKVGJPDQLWAE-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.68
Rot. Bonds8

About 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide

2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 42790198) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID42790198
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Name2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C2=NOC(CN(Cc3cccc(OC)c3)C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C26H25FN2O4/c1-31-20-12-10-19(11-13-20)25-15-22(33-28-25)17-29(16-18-6-5-7-21(14-18)32-2)26(30)23-8-3-4-9-24(23)27/h3-14,22H,15-17H2,1-2H3
InChIKeyHXNKVGJPDQLWAE-UHFFFAOYSA-N
XLogP4.68
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 42790198) is 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1ccc(C2=NOC(CN(Cc3cccc(OC)c3)C(=O)c3ccccc3F)C2)cc1.
What is the InChIKey of 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is HXNKVGJPDQLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c1-31-20-12-10-19(11-13-20)25-15-22(33-28-25)17-29(16-18-6-5-7-21(14-18)32-2)26(30)23-8-3-4-9-24(23)27/h3-14,22H,15-17H2,1-2H3.
What are the key properties of 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 448.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42790198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).