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

C14H18N2O4 — CID 110650352

IUPAC3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1COC(=O)N1C
InChIInChI=1S/C14H18N2O4/c1-9(2)20-12-7-5-4-6-10(12)15-13(17)11-8-19-14(18)16(11)3/h4-7,9,11H,8H2,1-3H3,(H,15,17)
InChIKeyAJVDZXMPKSJJSW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.86
Rot. Bonds4

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

3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 110650352) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide
PubChem CID110650352
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1COC(=O)N1C
InChIInChI=1S/C14H18N2O4/c1-9(2)20-12-7-5-4-6-10(12)15-13(17)11-8-19-14(18)16(11)3/h4-7,9,11H,8H2,1-3H3,(H,15,17)
InChIKeyAJVDZXMPKSJJSW-UHFFFAOYSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide (CID 110650352) is 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide is CC(C)Oc1ccccc1NC(=O)C1COC(=O)N1C.
What is the InChIKey of 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is AJVDZXMPKSJJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(2)20-12-7-5-4-6-10(12)15-13(17)11-8-19-14(18)16(11)3/h4-7,9,11H,8H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide?
3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110650352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).