2-(5-propyl-1,3-oxazol-2-yl)acetic acid

C8H11NO3 — CID 115013535

IUPAC2-(5-propyl-1,3-oxazol-2-yl)acetic acid
SMILESCCCc1cnc(CC(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-2-3-6-5-9-7(12-6)4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyNVXDMDDODBEFLF-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.25
Rot. Bonds4

About 2-(5-propyl-1,3-oxazol-2-yl)acetic acid

2-(5-propyl-1,3-oxazol-2-yl)acetic acid (PubChem CID 115013535) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(5-propyl-1,3-oxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-propyl-1,3-oxazol-2-yl)acetic acid
PubChem CID115013535
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(5-propyl-1,3-oxazol-2-yl)acetic acid
SMILESCCCc1cnc(CC(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-2-3-6-5-9-7(12-6)4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyNVXDMDDODBEFLF-UHFFFAOYSA-N
XLogP1.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-1,3-oxazol-2-yl)acetic acid?
The IUPAC name of 2-(5-propyl-1,3-oxazol-2-yl)acetic acid (CID 115013535) is 2-(5-propyl-1,3-oxazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-propyl-1,3-oxazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-propyl-1,3-oxazol-2-yl)acetic acid is CCCc1cnc(CC(=O)O)o1.
What is the InChIKey of 2-(5-propyl-1,3-oxazol-2-yl)acetic acid?
The InChIKey is NVXDMDDODBEFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-3-6-5-9-7(12-6)4-8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(5-propyl-1,3-oxazol-2-yl)acetic acid?
2-(5-propyl-1,3-oxazol-2-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-1,3-oxazol-2-yl)acetic acid is sourced from PubChem (CID 115013535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).