ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate

C15H19N3O3 — CID 79233496

IUPACethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(C)c1c(C)noc1C
InChIInChI=1S/C15H19N3O3/c1-5-20-15(19)12-7-6-8-16-14(12)17-9(2)13-10(3)18-21-11(13)4/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyOKKYFHSVLUAZJX-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.04
Rot. Bonds5

About ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate

ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 79233496) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
PubChem CID79233496
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(C)c1c(C)noc1C
InChIInChI=1S/C15H19N3O3/c1-5-20-15(19)12-7-6-8-16-14(12)17-9(2)13-10(3)18-21-11(13)4/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyOKKYFHSVLUAZJX-UHFFFAOYSA-N
XLogP3.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 54950402
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N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
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CID 78961431
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CID 90095757
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CID 146675652
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CID 106186512
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103755407
ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
CID 80698274
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate (CID 79233496) is ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(C)c1c(C)noc1C.
What is the InChIKey of ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is OKKYFHSVLUAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-20-15(19)12-7-6-8-16-14(12)17-9(2)13-10(3)18-21-11(13)4/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 79233496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).