N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide

C13H13FN2O2 — CID 53195141

IUPACN-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cc2C)c(C)o1
InChIInChI=1S/C13H13FN2O2/c1-7-6-10(14)4-5-11(7)16-13(17)12-8(2)18-9(3)15-12/h4-6H,1-3H3,(H,16,17)
InChIKeyQFCRASDTBOOHGE-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.99
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53195141) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID53195141
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cc2C)c(C)o1
InChIInChI=1S/C13H13FN2O2/c1-7-6-10(14)4-5-11(7)16-13(17)12-8(2)18-9(3)15-12/h4-6H,1-3H3,(H,16,17)
InChIKeyQFCRASDTBOOHGE-UHFFFAOYSA-N
XLogP2.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 53195141) is N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cc2C)c(C)o1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is QFCRASDTBOOHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7-6-10(14)4-5-11(7)16-13(17)12-8(2)18-9(3)15-12/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).