3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide

C15H13N3O2 — CID 26123115

IUPAC3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H13N3O2/c1-9-13(10(2)20-18-9)15(19)17-12-7-3-5-11-6-4-8-16-14(11)12/h3-8H,1-2H3,(H,17,19)
InChIKeyQBFDWHLVCPTPTJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.09
Rot. Bonds2

About 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide (PubChem CID 26123115) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide
PubChem CID26123115
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H13N3O2/c1-9-13(10(2)20-18-9)15(19)17-12-7-3-5-11-6-4-8-16-14(11)12/h3-8H,1-2H3,(H,17,19)
InChIKeyQBFDWHLVCPTPTJ-UHFFFAOYSA-N
XLogP3.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide (CID 26123115) is 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QBFDWHLVCPTPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-13(10(2)20-18-9)15(19)17-12-7-3-5-11-6-4-8-16-14(11)12/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 26123115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).