4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid

Name: 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₉NO₄ — CID 157031880

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid

SMILESCC(C)Oc1conc1C(=O)O

InChIInChI=1S/C7H9NO4/c1-4(2)12-5-3-11-8-6(5)7(9)10/h3-4H,1-2H3,(H,9,10)

InChIKeyFZPOOPPGOUMAHD-UHFFFAOYSA-N

MW171.15 g/mol

LogP1.16

Rot. Bonds3

About 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid

4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid (PubChem CID 157031880) has the molecular formula C₇H₉NO₄ and a molecular weight of 171.15 g/mol. Its IUPAC name is 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name	4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid
PubChem CID	157031880
Molecular Formula	C₇H₉NO₄
Molecular Weight	171.15 g/mol
Exact Mass	171.05
IUPAC Name	4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid
SMILES	CC(C)Oc1conc1C(=O)O
InChI	InChI=1S/C7H9NO4/c1-4(2)12-5-3-11-8-6(5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKey	FZPOOPPGOUMAHD-UHFFFAOYSA-N
XLogP	1.16
TPSA	72.56 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.15
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid (CID 157031880) is 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid is CC(C)Oc1conc1C(=O)O.

What is the InChIKey of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?

The InChIKey is FZPOOPPGOUMAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(2)12-5-3-11-8-6(5)7(9)10/h3-4H,1-2H3,(H,9,10).

What are the key properties of 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid?

4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 157031880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 157031880 — identifiers, structure, computed properties (public domain)

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