N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C14H13FN2O3 — CID 144872140

IUPACN-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2oc(C)nc2C)ccc1F
InChIInChI=1S/C14H13FN2O3/c1-7-13(20-9(3)16-7)14(19)17-10-4-5-12(15)11(6-10)8(2)18/h4-6H,1-3H3,(H,17,19)
InChIKeyYBZLQKRMVOMEGS-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.89
Rot. Bonds3

About N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 144872140) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID144872140
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2oc(C)nc2C)ccc1F
InChIInChI=1S/C14H13FN2O3/c1-7-13(20-9(3)16-7)14(19)17-10-4-5-12(15)11(6-10)8(2)18/h4-6H,1-3H3,(H,17,19)
InChIKeyYBZLQKRMVOMEGS-UHFFFAOYSA-N
XLogP2.89
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 144872140) is N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is CC(=O)c1cc(NC(=O)c2oc(C)nc2C)ccc1F.
What is the InChIKey of N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is YBZLQKRMVOMEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-7-13(20-9(3)16-7)14(19)17-10-4-5-12(15)11(6-10)8(2)18/h4-6H,1-3H3,(H,17,19).
What are the key properties of N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 144872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).