benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate

C17H15N3O4 — CID 58077030

IUPACbenzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2oc(-c3ncco3)nc2C1
InChIInChI=1S/C17H15N3O4/c21-17(23-11-12-4-2-1-3-5-12)20-8-6-14-13(10-20)19-16(24-14)15-18-7-9-22-15/h1-5,7,9H,6,8,10-11H2
InChIKeyBJEHHMHIZVMRCC-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.02
Rot. Bonds3

About benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate

benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 58077030) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate
PubChem CID58077030
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Namebenzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2oc(-c3ncco3)nc2C1
InChIInChI=1S/C17H15N3O4/c21-17(23-11-12-4-2-1-3-5-12)20-8-6-14-13(10-20)19-16(24-14)15-18-7-9-22-15/h1-5,7,9H,6,8,10-11H2
InChIKeyBJEHHMHIZVMRCC-UHFFFAOYSA-N
XLogP3.02
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate (CID 58077030) is benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate is O=C(OCc1ccccc1)N1CCc2oc(-c3ncco3)nc2C1.
What is the InChIKey of benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is BJEHHMHIZVMRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-17(23-11-12-4-2-1-3-5-12)20-8-6-14-13(10-20)19-16(24-14)15-18-7-9-22-15/h1-5,7,9H,6,8,10-11H2.
What are the key properties of benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate?
benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 58077030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).