N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H16N2O3 — CID 106834710

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)noc2C)c(C)cc1O
InChIInChI=1S/C14H16N2O3/c1-7-6-12(17)8(2)5-11(7)15-14(18)13-9(3)16-19-10(13)4/h5-6,17H,1-4H3,(H,15,18)
InChIKeyKLOZJXCKZKAUOH-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.87
Rot. Bonds2

About N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 106834710) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID106834710
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)noc2C)c(C)cc1O
InChIInChI=1S/C14H16N2O3/c1-7-6-12(17)8(2)5-11(7)15-14(18)13-9(3)16-19-10(13)4/h5-6,17H,1-4H3,(H,15,18)
InChIKeyKLOZJXCKZKAUOH-UHFFFAOYSA-N
XLogP2.87
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 60557374
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414759
N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106834916
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 81024357
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102979124
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8832095
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7926548

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 106834710) is N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)c2c(C)noc2C)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is KLOZJXCKZKAUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-7-6-12(17)8(2)5-11(7)15-14(18)13-9(3)16-19-10(13)4/h5-6,17H,1-4H3,(H,15,18).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 106834710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).