3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide

C16H15N3O2 — CID 9207321

IUPAC3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H15N3O2/c1-3-12-15(10(2)21-19-12)16(20)18-14-8-4-7-13-11(14)6-5-9-17-13/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyKCLSKFKKAQQNEL-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.35
Rot. Bonds3

About 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide (PubChem CID 9207321) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide
PubChem CID9207321
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H15N3O2/c1-3-12-15(10(2)21-19-12)16(20)18-14-8-4-7-13-11(14)6-5-9-17-13/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyKCLSKFKKAQQNEL-UHFFFAOYSA-N
XLogP3.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide (CID 9207321) is 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide?
The InChIKey is KCLSKFKKAQQNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-12-15(10(2)21-19-12)16(20)18-14-8-4-7-13-11(14)6-5-9-17-13/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-quinolin-5-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9207321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).