5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 3073011

IUPAC5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(CO)on2)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)13(10(3)5-8)15-14(18)12-6-11(7-17)19-16-12/h4-6,17H,7H2,1-3H3,(H,15,18)
InChIKeyUEQPKDMRLWIDHE-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.34
Rot. Bonds3

About 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3073011) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3073011
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(CO)on2)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)13(10(3)5-8)15-14(18)12-6-11(7-17)19-16-12/h4-6,17H,7H2,1-3H3,(H,15,18)
InChIKeyUEQPKDMRLWIDHE-UHFFFAOYSA-N
XLogP2.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
3-methoxy-N-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxamide
CID 90573885
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
CID 103606412
N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 138055899
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide
CID 136666350

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (CID 3073011) is 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)c(NC(=O)c2cc(CO)on2)c(C)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UEQPKDMRLWIDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-9(2)13(10(3)5-8)15-14(18)12-6-11(7-17)19-16-12/h4-6,17H,7H2,1-3H3,(H,15,18).
What are the key properties of 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).