methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate

C10H8N2O3 — CID 776550

IUPACmethyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2)no1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)9-5-8(12-15-9)7-3-2-4-11-6-7/h2-6H,1H3
InChIKeyMFRGXLRFFUONRQ-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.52
Rot. Bonds2

About methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate

methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate (PubChem CID 776550) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate
PubChem CID776550
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2)no1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)9-5-8(12-15-9)7-3-2-4-11-6-7/h2-6H,1H3
InChIKeyMFRGXLRFFUONRQ-UHFFFAOYSA-N
XLogP1.52
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate (CID 776550) is methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate is COC(=O)c1cc(-c2cccnc2)no1.
What is the InChIKey of methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate?
The InChIKey is MFRGXLRFFUONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-14-10(13)9-5-8(12-15-9)7-3-2-4-11-6-7/h2-6H,1H3.
What are the key properties of methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate?
methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-3-yl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 776550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).