3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide

C26H26FN3O2 — CID 42632733

IUPAC3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide
SMILESCc1ccnc(C2CC(c3cc(C(=O)NC(C)C)cc(-c4ccc(C)cc4F)c3)=NO2)c1
InChIInChI=1S/C26H26FN3O2/c1-15(2)29-26(31)20-12-18(21-6-5-16(3)9-22(21)27)11-19(13-20)23-14-25(32-30-23)24-10-17(4)7-8-28-24/h5-13,15,25H,14H2,1-4H3,(H,29,31)
InChIKeyKPPNJJMEPJTJOG-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.51
Rot. Bonds5

About 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide

3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 42632733) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID42632733
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide
SMILESCc1ccnc(C2CC(c3cc(C(=O)NC(C)C)cc(-c4ccc(C)cc4F)c3)=NO2)c1
InChIInChI=1S/C26H26FN3O2/c1-15(2)29-26(31)20-12-18(21-6-5-16(3)9-22(21)27)11-19(13-20)23-14-25(32-30-23)24-10-17(4)7-8-28-24/h5-13,15,25H,14H2,1-4H3,(H,29,31)
InChIKeyKPPNJJMEPJTJOG-UHFFFAOYSA-N
XLogP5.51
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide 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 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide (CID 42632733) is 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide is Cc1ccnc(C2CC(c3cc(C(=O)NC(C)C)cc(-c4ccc(C)cc4F)c3)=NO2)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is KPPNJJMEPJTJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-15(2)29-26(31)20-12-18(21-6-5-16(3)9-22(21)27)11-19(13-20)23-14-25(32-30-23)24-10-17(4)7-8-28-24/h5-13,15,25H,14H2,1-4H3,(H,29,31).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide?
3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 431.51 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-5-[5-(4-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 42632733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).