5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide

C13H20N2O4 — CID 94598736

IUPAC5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCOC[C@H]2CCCO2)no1
InChIInChI=1S/C13H20N2O4/c1-10-8-12(15-19-10)13(16)14-5-3-6-17-9-11-4-2-7-18-11/h8,11H,2-7,9H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyVTVLTBAAGRZEJF-LLVKDONJSA-N
MW268.31 g/mol
LogP1.30
Rot. Bonds7

About 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 94598736) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide
PubChem CID94598736
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCOC[C@H]2CCCO2)no1
InChIInChI=1S/C13H20N2O4/c1-10-8-12(15-19-10)13(16)14-5-3-6-17-9-11-4-2-7-18-11/h8,11H,2-7,9H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyVTVLTBAAGRZEJF-LLVKDONJSA-N
XLogP1.30
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide (CID 94598736) is 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCOC[C@H]2CCCO2)no1.
What is the InChIKey of 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VTVLTBAAGRZEJF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-10-8-12(15-19-10)13(16)14-5-3-6-17-9-11-4-2-7-18-11/h8,11H,2-7,9H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94598736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).