4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one

C14H12N2O2 — CID 19968542

IUPAC4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one
SMILESCCc1[nH]c(=O)oc1-c1ccnc2ccccc12
InChIInChI=1S/C14H12N2O2/c1-2-11-13(18-14(17)16-11)10-7-8-15-12-6-4-3-5-9(10)12/h3-8H,2H2,1H3,(H,16,17)
InChIKeyRLVAWSYDPSWHMD-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.75
Rot. Bonds2

About 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one

4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one (PubChem CID 19968542) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one
PubChem CID19968542
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one
SMILESCCc1[nH]c(=O)oc1-c1ccnc2ccccc12
InChIInChI=1S/C14H12N2O2/c1-2-11-13(18-14(17)16-11)10-7-8-15-12-6-4-3-5-9(10)12/h3-8H,2H2,1H3,(H,16,17)
InChIKeyRLVAWSYDPSWHMD-UHFFFAOYSA-N
XLogP2.75
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one (CID 19968542) is 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one is CCc1[nH]c(=O)oc1-c1ccnc2ccccc12.
What is the InChIKey of 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one?
The InChIKey is RLVAWSYDPSWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-11-13(18-14(17)16-11)10-7-8-15-12-6-4-3-5-9(10)12/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one?
4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-quinolin-4-yl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 19968542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).