2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

C23H18FN3O2 — CID 16676159

IUPAC2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(F)cc2)nc1C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C23H18FN3O2/c1-15-20(27-23(29-15)17-9-11-19(24)12-10-17)22(28)26-21(16-6-3-2-4-7-16)18-8-5-13-25-14-18/h2-14,21H,1H3,(H,26,28)
InChIKeyCBSDUMDFEBPJAV-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.70
Rot. Bonds5

About 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 16676159) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID16676159
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(F)cc2)nc1C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C23H18FN3O2/c1-15-20(27-23(29-15)17-9-11-19(24)12-10-17)22(28)26-21(16-6-3-2-4-7-16)18-8-5-13-25-14-18/h2-14,21H,1H3,(H,26,28)
InChIKeyCBSDUMDFEBPJAV-UHFFFAOYSA-N
XLogP4.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide (CID 16676159) is 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccc(F)cc2)nc1C(=O)NC(c1ccccc1)c1cccnc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CBSDUMDFEBPJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-15-20(27-23(29-15)17-9-11-19(24)12-10-17)22(28)26-21(16-6-3-2-4-7-16)18-8-5-13-25-14-18/h2-14,21H,1H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide?
2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16676159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).