4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

C9H13NO3 — CID 64982818

IUPAC4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(CC(C)C)oc1C(=O)O
InChIInChI=1S/C9H13NO3/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyDQWOGVRDVPVNQZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.88
Rot. Bonds3

About 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 64982818) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
PubChem CID64982818
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(CC(C)C)oc1C(=O)O
InChIInChI=1S/C9H13NO3/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyDQWOGVRDVPVNQZ-UHFFFAOYSA-N
XLogP1.88
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (CID 64982818) is 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is Cc1nc(CC(C)C)oc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is DQWOGVRDVPVNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 64982818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).