ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate

C14H16N2O4 — CID 106420935

IUPACethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(Cc2ccno2)c1C
InChIInChI=1S/C14H16N2O4/c1-4-19-14(18)13-9(2)7-12(17)16(10(13)3)8-11-5-6-15-20-11/h5-7H,4,8H2,1-3H3
InChIKeyMTJFNKINXMWEJU-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.68
Rot. Bonds4

About ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate

ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate (PubChem CID 106420935) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate
PubChem CID106420935
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(Cc2ccno2)c1C
InChIInChI=1S/C14H16N2O4/c1-4-19-14(18)13-9(2)7-12(17)16(10(13)3)8-11-5-6-15-20-11/h5-7H,4,8H2,1-3H3
InChIKeyMTJFNKINXMWEJU-UHFFFAOYSA-N
XLogP1.68
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(1,2-oxazol-5-ylmethyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 166372466
ethyl (2E)-2-[2-[ethyl(1,2-oxazol-5-ylmethyl)amino]ethylidene]-5,5-dimethylhex-3-ynoate
CID 88465742
1-(1,2-Oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
CID 29041551
Ethyl 2,4-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridine-3-carboxylate
CID 61863591
4,6-Dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyridine-3-carboxylic acid
CID 62861756
6-Methyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyridine-3-carboxylic acid
CID 62874858
1-(1,2-Oxazol-5-ylmethyl)-2-oxopyridine-4-carboxylic acid
CID 82903560
Methyl 2-ethyl-4-(1,2-oxazol-5-ylmethylamino)but-2-enoate
CID 106419866
2,4-Dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
CID 106420933
1-(1,2-Oxazol-5-ylmethyl)-6-oxopyridine-2-carboxylic acid
CID 108108724
3-Methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
CID 115610779
4-Methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
CID 115614094

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate (CID 106420935) is ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(Cc2ccno2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
The InChIKey is MTJFNKINXMWEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-4-19-14(18)13-9(2)7-12(17)16(10(13)3)8-11-5-6-15-20-11/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 106420935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).