propyl 4-methyl-1,3-oxazole-5-carboxylate

C8H11NO3 — CID 79885436

IUPACpropyl 4-methyl-1,3-oxazole-5-carboxylate
SMILESCCCOC(=O)c1ocnc1C
InChIInChI=1S/C8H11NO3/c1-3-4-11-8(10)7-6(2)9-5-12-7/h5H,3-4H2,1-2H3
InChIKeyBEVRGLNWQXAPPE-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.55
Rot. Bonds3

About propyl 4-methyl-1,3-oxazole-5-carboxylate

propyl 4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 79885436) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is propyl 4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 4-methyl-1,3-oxazole-5-carboxylate
PubChem CID79885436
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namepropyl 4-methyl-1,3-oxazole-5-carboxylate
SMILESCCCOC(=O)c1ocnc1C
InChIInChI=1S/C8H11NO3/c1-3-4-11-8(10)7-6(2)9-5-12-7/h5H,3-4H2,1-2H3
InChIKeyBEVRGLNWQXAPPE-UHFFFAOYSA-N
XLogP1.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of propyl 4-methyl-1,3-oxazole-5-carboxylate (CID 79885436) is propyl 4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for propyl 4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for propyl 4-methyl-1,3-oxazole-5-carboxylate is CCCOC(=O)c1ocnc1C.
What is the InChIKey of propyl 4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is BEVRGLNWQXAPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-4-11-8(10)7-6(2)9-5-12-7/h5H,3-4H2,1-2H3.
What are the key properties of propyl 4-methyl-1,3-oxazole-5-carboxylate?
propyl 4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 79885436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).