methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate

C14H14N2O4 — CID 167872698

IUPACmethyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCc2cc(C3CC3)no2)c1
InChIInChI=1S/C14H14N2O4/c1-18-14(17)10-4-5-15-13(6-10)19-8-11-7-12(16-20-11)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyHKGQXJRXRYKIBF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate

methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate (PubChem CID 167872698) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate
PubChem CID167872698
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCc2cc(C3CC3)no2)c1
InChIInChI=1S/C14H14N2O4/c1-18-14(17)10-4-5-15-13(6-10)19-8-11-7-12(16-20-11)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyHKGQXJRXRYKIBF-UHFFFAOYSA-N
XLogP2.31
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate (CID 167872698) is methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate is COC(=O)c1ccnc(OCc2cc(C3CC3)no2)c1.
What is the InChIKey of methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate?
The InChIKey is HKGQXJRXRYKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-18-14(17)10-4-5-15-13(6-10)19-8-11-7-12(16-20-11)9-2-3-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate?
methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyclopropyl-1,2-oxazol-5-yl)methoxy]pyridine-4-carboxylate is sourced from PubChem (CID 167872698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).