methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate

C11H11N3O3 — CID 79492915

IUPACmethyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2ccon2)ccn1
InChIInChI=1S/C11H11N3O3/c1-16-11(15)10-6-8(2-4-12-10)13-7-9-3-5-17-14-9/h2-6H,7H2,1H3,(H,12,13)
InChIKeyFIWROGDFKKIFEM-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.47
Rot. Bonds4

About methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate

methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate (PubChem CID 79492915) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
PubChem CID79492915
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2ccon2)ccn1
InChIInChI=1S/C11H11N3O3/c1-16-11(15)10-6-8(2-4-12-10)13-7-9-3-5-17-14-9/h2-6H,7H2,1H3,(H,12,13)
InChIKeyFIWROGDFKKIFEM-UHFFFAOYSA-N
XLogP1.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 66285848
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate (CID 79492915) is methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate is COC(=O)c1cc(NCc2ccon2)ccn1.
What is the InChIKey of methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate?
The InChIKey is FIWROGDFKKIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-16-11(15)10-6-8(2-4-12-10)13-7-9-3-5-17-14-9/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate?
methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 79492915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).