N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

C15H17FN2O2 — CID 53195216

IUPACN-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1F
InChIInChI=1S/C15H17FN2O2/c1-8(2)15-18-13(10(4)20-15)14(19)17-11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,19)
InChIKeyOYYCRUOMDKPBPZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.81
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 53195216) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID53195216
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1F
InChIInChI=1S/C15H17FN2O2/c1-8(2)15-18-13(10(4)20-15)14(19)17-11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,19)
InChIKeyOYYCRUOMDKPBPZ-UHFFFAOYSA-N
XLogP3.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 53195216) is N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is OYYCRUOMDKPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-8(2)15-18-13(10(4)20-15)14(19)17-11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).