2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid

C12H19NO4 — CID 114373709

IUPAC2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCOCC(C)Cc1nc(C(C)C)c(C(=O)O)o1
InChIInChI=1S/C12H19NO4/c1-7(2)10-11(12(14)15)17-9(13-10)5-8(3)6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyFBLDNSLKTLMYJS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.32
Rot. Bonds6

About 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid

2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373709) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
PubChem CID114373709
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCOCC(C)Cc1nc(C(C)C)c(C(=O)O)o1
InChIInChI=1S/C12H19NO4/c1-7(2)10-11(12(14)15)17-9(13-10)5-8(3)6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyFBLDNSLKTLMYJS-UHFFFAOYSA-N
XLogP2.32
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (CID 114373709) is 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is COCC(C)Cc1nc(C(C)C)c(C(=O)O)o1.
What is the InChIKey of 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is FBLDNSLKTLMYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7(2)10-11(12(14)15)17-9(13-10)5-8(3)6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).