3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide

C19H16F2N2O2 — CID 17437952

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C19H16F2N2O2/c1-12-3-2-4-14(9-12)23-18(24)7-8-19-22-11-17(25-19)15-6-5-13(20)10-16(15)21/h2-6,9-11H,7-8H2,1H3,(H,23,24)
InChIKeyIJWWTYFYHDPBMG-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.50
Rot. Bonds5

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide (PubChem CID 17437952) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide
PubChem CID17437952
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C19H16F2N2O2/c1-12-3-2-4-14(9-12)23-18(24)7-8-19-22-11-17(25-19)15-6-5-13(20)10-16(15)21/h2-6,9-11H,7-8H2,1H3,(H,23,24)
InChIKeyIJWWTYFYHDPBMG-UHFFFAOYSA-N
XLogP4.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide (CID 17437952) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is IJWWTYFYHDPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-12-3-2-4-14(9-12)23-18(24)7-8-19-22-11-17(25-19)15-6-5-13(20)10-16(15)21/h2-6,9-11H,7-8H2,1H3,(H,23,24).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 342.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 17437952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).