ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate

C12H13N3O3 — CID 118249150

IUPACethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cc(C)ccn2)o1
InChIInChI=1S/C12H13N3O3/c1-3-17-11(16)9-7-14-12(18-9)15-10-6-8(2)4-5-13-10/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyHTQRYLTZLXDEOO-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.30
Rot. Bonds4

About ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate

ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate (PubChem CID 118249150) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate
PubChem CID118249150
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cc(C)ccn2)o1
InChIInChI=1S/C12H13N3O3/c1-3-17-11(16)9-7-14-12(18-9)15-10-6-8(2)4-5-13-10/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyHTQRYLTZLXDEOO-UHFFFAOYSA-N
XLogP2.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate (CID 118249150) is ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(Nc2cc(C)ccn2)o1.
What is the InChIKey of ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate?
The InChIKey is HTQRYLTZLXDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-17-11(16)9-7-14-12(18-9)15-10-6-8(2)4-5-13-10/h4-7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate?
ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 118249150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).