propan-2-yl 1,2-oxazole-3-carboxylate

C7H9NO3 — CID 62090709

IUPACpropan-2-yl 1,2-oxazole-3-carboxylate
SMILESCC(C)OC(=O)c1ccon1
InChIInChI=1S/C7H9NO3/c1-5(2)11-7(9)6-3-4-10-8-6/h3-5H,1-2H3
InChIKeyFONQLKCOTPSALM-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.24
Rot. Bonds2

About propan-2-yl 1,2-oxazole-3-carboxylate

propan-2-yl 1,2-oxazole-3-carboxylate (PubChem CID 62090709) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is propan-2-yl 1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1,2-oxazole-3-carboxylate
PubChem CID62090709
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namepropan-2-yl 1,2-oxazole-3-carboxylate
SMILESCC(C)OC(=O)c1ccon1
InChIInChI=1S/C7H9NO3/c1-5(2)11-7(9)6-3-4-10-8-6/h3-5H,1-2H3
InChIKeyFONQLKCOTPSALM-UHFFFAOYSA-N
XLogP1.24
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1,2-oxazole-3-carboxylate?
The IUPAC name of propan-2-yl 1,2-oxazole-3-carboxylate (CID 62090709) is propan-2-yl 1,2-oxazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 1,2-oxazole-3-carboxylate?
The canonical SMILES for propan-2-yl 1,2-oxazole-3-carboxylate is CC(C)OC(=O)c1ccon1.
What is the InChIKey of propan-2-yl 1,2-oxazole-3-carboxylate?
The InChIKey is FONQLKCOTPSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(2)11-7(9)6-3-4-10-8-6/h3-5H,1-2H3.
What are the key properties of propan-2-yl 1,2-oxazole-3-carboxylate?
propan-2-yl 1,2-oxazole-3-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1,2-oxazole-3-carboxylate is sourced from PubChem (CID 62090709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).