methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate

C13H14N2O3 — CID 58062816

IUPACmethyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)noc1-c1ccccn1
InChIInChI=1S/C13H14N2O3/c1-3-6-9-11(13(16)17-2)15-18-12(9)10-7-4-5-8-14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWJYIJWIQZAQLJW-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.48
Rot. Bonds4

About methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate

methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 58062816) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate
PubChem CID58062816
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)noc1-c1ccccn1
InChIInChI=1S/C13H14N2O3/c1-3-6-9-11(13(16)17-2)15-18-12(9)10-7-4-5-8-14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWJYIJWIQZAQLJW-UHFFFAOYSA-N
XLogP2.48
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate (CID 58062816) is methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate is CCCc1c(C(=O)OC)noc1-c1ccccn1.
What is the InChIKey of methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is WJYIJWIQZAQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-6-9-11(13(16)17-2)15-18-12(9)10-7-4-5-8-14-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate?
methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 58062816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).