2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid

C12H19NO4 — CID 114373124

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(COC(C)(C)C)oc1C(=O)O
InChIInChI=1S/C12H19NO4/c1-5-6-8-10(11(14)15)17-9(13-8)7-16-12(2,3)4/h5-7H2,1-4H3,(H,14,15)
InChIKeyBBMVJJKNYXUAJB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.64
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid

2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373124) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID114373124
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(COC(C)(C)C)oc1C(=O)O
InChIInChI=1S/C12H19NO4/c1-5-6-8-10(11(14)15)17-9(13-8)7-16-12(2,3)4/h5-7H2,1-4H3,(H,14,15)
InChIKeyBBMVJJKNYXUAJB-UHFFFAOYSA-N
XLogP2.64
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid (CID 114373124) is 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(COC(C)(C)C)oc1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is BBMVJJKNYXUAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-6-8-10(11(14)15)17-9(13-8)7-16-12(2,3)4/h5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).