N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

C19H17FN2O3 — CID 53180438

IUPACN-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESCc1ccc(-c2cn(CC(=O)NCc3cccc(F)c3)c(=O)o2)cc1
InChIInChI=1S/C19H17FN2O3/c1-13-5-7-15(8-6-13)17-11-22(19(24)25-17)12-18(23)21-10-14-3-2-4-16(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeyKSIJBOORZGGWPN-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.87
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (PubChem CID 53180438) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
PubChem CID53180438
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESCc1ccc(-c2cn(CC(=O)NCc3cccc(F)c3)c(=O)o2)cc1
InChIInChI=1S/C19H17FN2O3/c1-13-5-7-15(8-6-13)17-11-22(19(24)25-17)12-18(23)21-10-14-3-2-4-16(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeyKSIJBOORZGGWPN-UHFFFAOYSA-N
XLogP2.87
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (CID 53180438) is N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is Cc1ccc(-c2cn(CC(=O)NCc3cccc(F)c3)c(=O)o2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The InChIKey is KSIJBOORZGGWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-13-5-7-15(8-6-13)17-11-22(19(24)25-17)12-18(23)21-10-14-3-2-4-16(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide has a molecular weight of 340.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is sourced from PubChem (CID 53180438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).