3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid

C10H15NO3 — CID 82399016

IUPAC3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid
SMILESCc1nc(C(C)C)oc1CCC(=O)O
InChIInChI=1S/C10H15NO3/c1-6(2)10-11-7(3)8(14-10)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyPTAFERCPMQTGKO-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.12
Rot. Bonds4

About 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid

3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid (PubChem CID 82399016) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid
PubChem CID82399016
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid
SMILESCc1nc(C(C)C)oc1CCC(=O)O
InChIInChI=1S/C10H15NO3/c1-6(2)10-11-7(3)8(14-10)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyPTAFERCPMQTGKO-UHFFFAOYSA-N
XLogP2.12
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid (CID 82399016) is 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid is Cc1nc(C(C)C)oc1CCC(=O)O.
What is the InChIKey of 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid?
The InChIKey is PTAFERCPMQTGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)10-11-7(3)8(14-10)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid?
3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 82399016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).