5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid

C10H13NO3 — CID 105448821

IUPAC5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)noc1C1CC1
InChIInChI=1S/C10H13NO3/c1-5(2)7-8(10(12)13)11-14-9(7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyANLDHANZSXLBFP-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.37
Rot. Bonds3

About 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid

5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid (PubChem CID 105448821) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
PubChem CID105448821
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)noc1C1CC1
InChIInChI=1S/C10H13NO3/c1-5(2)7-8(10(12)13)11-14-9(7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyANLDHANZSXLBFP-UHFFFAOYSA-N
XLogP2.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid (CID 105448821) is 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid is CC(C)c1c(C(=O)O)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
The InChIKey is ANLDHANZSXLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-5(2)7-8(10(12)13)11-14-9(7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid?
5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105448821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).