4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one

C11H12N2O2 — CID 10219881

IUPAC4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one
SMILESCCCc1[nH]c(=O)oc1-c1cccnc1
InChIInChI=1S/C11H12N2O2/c1-2-4-9-10(15-11(14)13-9)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyQLUJYVDJTONJNF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.98
Rot. Bonds3

About 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one

4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one (PubChem CID 10219881) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one
PubChem CID10219881
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one
SMILESCCCc1[nH]c(=O)oc1-c1cccnc1
InChIInChI=1S/C11H12N2O2/c1-2-4-9-10(15-11(14)13-9)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyQLUJYVDJTONJNF-UHFFFAOYSA-N
XLogP1.98
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one (CID 10219881) is 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one is CCCc1[nH]c(=O)oc1-c1cccnc1.
What is the InChIKey of 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one?
The InChIKey is QLUJYVDJTONJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-4-9-10(15-11(14)13-9)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,14).
What are the key properties of 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one?
4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 10219881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).