N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

C16H17F3N2O3 — CID 53195227

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3/c1-8(2)15-21-13(9(3)24-15)14(22)20-10-5-6-12(23-4)11(7-10)16(17,18)19/h5-8H,1-4H3,(H,20,22)
InChIKeySXBBJBBFQDMDCF-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.39
Rot. Bonds4

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 53195227) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID53195227
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3/c1-8(2)15-21-13(9(3)24-15)14(22)20-10-5-6-12(23-4)11(7-10)16(17,18)19/h5-8H,1-4H3,(H,20,22)
InChIKeySXBBJBBFQDMDCF-UHFFFAOYSA-N
XLogP4.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 53195227) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is SXBBJBBFQDMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-8(2)15-21-13(9(3)24-15)14(22)20-10-5-6-12(23-4)11(7-10)16(17,18)19/h5-8H,1-4H3,(H,20,22).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).