1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C19H16N4O4 — CID 18158215

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OC(C)c2nnc(-c3ccccc3)o2)c2c(C)noc2n1
InChIInChI=1S/C19H16N4O4/c1-10-9-14(15-11(2)23-27-18(15)20-10)19(24)25-12(3)16-21-22-17(26-16)13-7-5-4-6-8-13/h4-9,12H,1-3H3
InChIKeyCVVDUOGDUAXGIF-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.81
Rot. Bonds4

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 18158215) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID18158215
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OC(C)c2nnc(-c3ccccc3)o2)c2c(C)noc2n1
InChIInChI=1S/C19H16N4O4/c1-10-9-14(15-11(2)23-27-18(15)20-10)19(24)25-12(3)16-21-22-17(26-16)13-7-5-4-6-8-13/h4-9,12H,1-3H3
InChIKeyCVVDUOGDUAXGIF-UHFFFAOYSA-N
XLogP3.81
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8939044
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,5-dimethylbenzoate
CID 7604450
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
CID 18196843
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4,5-trimethoxybenzoate
CID 7604513
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 7605230
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8782395
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-methyl-5-sulfamoylbenzoate
CID 55386289
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
CID 18196876
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825432
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chloro-4-fluorobenzoate
CID 8937352

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 18158215) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(C(=O)OC(C)c2nnc(-c3ccccc3)o2)c2c(C)noc2n1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CVVDUOGDUAXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-10-9-14(15-11(2)23-27-18(15)20-10)19(24)25-12(3)16-21-22-17(26-16)13-7-5-4-6-8-13/h4-9,12H,1-3H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 18158215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).