4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 110860342

IUPAC4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C14H16N2O3/c1-9(2)19-12-7-5-4-6-11(12)15-14(17)13-10(3)8-18-16-13/h4-9H,1-3H3,(H,15,17)
InChIKeyXUFOYISVXBZQTQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.02
Rot. Bonds4

About 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 110860342) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID110860342
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C14H16N2O3/c1-9(2)19-12-7-5-4-6-11(12)15-14(17)13-10(3)8-18-16-13/h4-9H,1-3H3,(H,15,17)
InChIKeyXUFOYISVXBZQTQ-UHFFFAOYSA-N
XLogP3.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (CID 110860342) is 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is Cc1conc1C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XUFOYISVXBZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)19-12-7-5-4-6-11(12)15-14(17)13-10(3)8-18-16-13/h4-9H,1-3H3,(H,15,17).
What are the key properties of 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110860342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).