propyl 1,2-oxazole-5-carboxylate

C7H9NO3 — CID 66335739

IUPACpropyl 1,2-oxazole-5-carboxylate
SMILESCCCOC(=O)c1ccno1
InChIInChI=1S/C7H9NO3/c1-2-5-10-7(9)6-3-4-8-11-6/h3-4H,2,5H2,1H3
InChIKeyONFJSRGTBFCARU-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.24
Rot. Bonds3

About propyl 1,2-oxazole-5-carboxylate

propyl 1,2-oxazole-5-carboxylate (PubChem CID 66335739) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is propyl 1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 1,2-oxazole-5-carboxylate
PubChem CID66335739
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namepropyl 1,2-oxazole-5-carboxylate
SMILESCCCOC(=O)c1ccno1
InChIInChI=1S/C7H9NO3/c1-2-5-10-7(9)6-3-4-8-11-6/h3-4H,2,5H2,1H3
InChIKeyONFJSRGTBFCARU-UHFFFAOYSA-N
XLogP1.24
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

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CID 23006250
CID 23006250
CID 87799549
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CID 144391296
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CID 153906588
CID 153906588
CID 174661509
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CID 102039349
CID 102039349
CID 164887837
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CID 145538316
CID 145538316

Frequently Asked Questions

What is the IUPAC name of propyl 1,2-oxazole-5-carboxylate?
The IUPAC name of propyl 1,2-oxazole-5-carboxylate (CID 66335739) is propyl 1,2-oxazole-5-carboxylate.
What is the SMILES notation for propyl 1,2-oxazole-5-carboxylate?
The canonical SMILES for propyl 1,2-oxazole-5-carboxylate is CCCOC(=O)c1ccno1.
What is the InChIKey of propyl 1,2-oxazole-5-carboxylate?
The InChIKey is ONFJSRGTBFCARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-5-10-7(9)6-3-4-8-11-6/h3-4H,2,5H2,1H3.
What are the key properties of propyl 1,2-oxazole-5-carboxylate?
propyl 1,2-oxazole-5-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1,2-oxazole-5-carboxylate is sourced from PubChem (CID 66335739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).