4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide

C25H23N3O3S — CID 127033252

IUPAC4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C25H23N3O3S/c29-23(20-8-6-19(7-9-20)22-14-26-17-31-22)27-16-25(10-12-30-13-11-25)24-28-21(15-32-24)18-4-2-1-3-5-18/h1-9,14-15,17H,10-13,16H2,(H,27,29)
InChIKeyFMKAUHQQULAXBH-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.94
Rot. Bonds6

About 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide

4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (PubChem CID 127033252) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
PubChem CID127033252
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C25H23N3O3S/c29-23(20-8-6-19(7-9-20)22-14-26-17-31-22)27-16-25(10-12-30-13-11-25)24-28-21(15-32-24)18-4-2-1-3-5-18/h1-9,14-15,17H,10-13,16H2,(H,27,29)
InChIKeyFMKAUHQQULAXBH-UHFFFAOYSA-N
XLogP4.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]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-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (CID 127033252) is 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The InChIKey is FMKAUHQQULAXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-23(20-8-6-19(7-9-20)22-14-26-17-31-22)27-16-25(10-12-30-13-11-25)24-28-21(15-32-24)18-4-2-1-3-5-18/h1-9,14-15,17H,10-13,16H2,(H,27,29).
What are the key properties of 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 127033252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).