N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide

C12H13N3O2 — CID 166206533

IUPACN-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCc1cnccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C12H13N3O2/c1-3-9-7-13-5-4-10(9)14-12(16)11-6-8(2)15-17-11/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyJCOFGIZIOOIGNH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.19
Rot. Bonds3

About N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 166206533) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID166206533
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCc1cnccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C12H13N3O2/c1-3-9-7-13-5-4-10(9)14-12(16)11-6-8(2)15-17-11/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyJCOFGIZIOOIGNH-UHFFFAOYSA-N
XLogP2.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 46475945
N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911420
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103766730
4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 28778001
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 166206533) is N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide is CCc1cnccc1NC(=O)c1cc(C)no1.
What is the InChIKey of N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JCOFGIZIOOIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-9-7-13-5-4-10(9)14-12(16)11-6-8(2)15-17-11/h4-7H,3H2,1-2H3,(H,13,14,16).
What are the key properties of N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 166206533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).