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

C18H13F3N2O2 — CID 16878555

IUPAC2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3F)no2)cc1
InChIInChI=1S/C18H13F3N2O2/c1-10-2-4-11(5-3-10)15-8-12(23-25-15)9-16(24)22-14-7-6-13(19)17(20)18(14)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyKNHMHGVDPJNRLV-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.25
Rot. Bonds4

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

2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 16878555) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID16878555
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3F)no2)cc1
InChIInChI=1S/C18H13F3N2O2/c1-10-2-4-11(5-3-10)15-8-12(23-25-15)9-16(24)22-14-7-6-13(19)17(20)18(14)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyKNHMHGVDPJNRLV-UHFFFAOYSA-N
XLogP4.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878473
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495
N-(2-ethylphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878811
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16878418
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 16878879
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide
CID 16878536
N-(3-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878861
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 16878881
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenylphenyl)acetamide
CID 16878671

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 16878555) is 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3F)no2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KNHMHGVDPJNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-10-2-4-11(5-3-10)15-8-12(23-25-15)9-16(24)22-14-7-6-13(19)17(20)18(14)21/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 346.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 16878555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).