N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide

C23H16Cl2F3N3O2 — CID 59355617

IUPACN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C23H16Cl2F3N3O2/c1-13-4-5-14(7-19(13)30-21(32)15-3-2-6-29-12-15)20-11-22(33-31-20,23(26,27)28)16-8-17(24)10-18(25)9-16/h2-10,12H,11H2,1H3,(H,30,32)
InChIKeyRCWIJUCDCJKKEM-UHFFFAOYSA-N
MW494.30 g/mol
LogP6.53
Rot. Bonds4

About N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide

N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 59355617) has the molecular formula C23H16Cl2F3N3O2 and a molecular weight of 494.30 g/mol. Its IUPAC name is N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID59355617
Molecular FormulaC23H16Cl2F3N3O2
Molecular Weight494.30 g/mol
Exact Mass493.06
IUPAC NameN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C23H16Cl2F3N3O2/c1-13-4-5-14(7-19(13)30-21(32)15-3-2-6-29-12-15)20-11-22(33-31-20,23(26,27)28)16-8-17(24)10-18(25)9-16/h2-10,12H,11H2,1H3,(H,30,32)
InChIKeyRCWIJUCDCJKKEM-UHFFFAOYSA-N
XLogP6.53
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.30
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide (CID 59355617) is N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide is Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is RCWIJUCDCJKKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N3O2/c1-13-4-5-14(7-19(13)30-21(32)15-3-2-6-29-12-15)20-11-22(33-31-20,23(26,27)28)16-8-17(24)10-18(25)9-16/h2-10,12H,11H2,1H3,(H,30,32).
What are the key properties of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide?
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 494.30 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59355617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).