2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid

C10H15NO3 — CID 105450621

IUPAC2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid
SMILESCCc1nc(CC(=O)O)oc1C(C)C
InChIInChI=1S/C10H15NO3/c1-4-7-10(6(2)3)14-8(11-7)5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyQMGQAIIDZNIUBF-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.99
Rot. Bonds4

About 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid

2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid (PubChem CID 105450621) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid
PubChem CID105450621
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid
SMILESCCc1nc(CC(=O)O)oc1C(C)C
InChIInChI=1S/C10H15NO3/c1-4-7-10(6(2)3)14-8(11-7)5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyQMGQAIIDZNIUBF-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid (CID 105450621) is 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid is CCc1nc(CC(=O)O)oc1C(C)C.
What is the InChIKey of 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
The InChIKey is QMGQAIIDZNIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-7-10(6(2)3)14-8(11-7)5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid?
2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid is sourced from PubChem (CID 105450621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).