3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C17H14N6O2 — CID 91943763

IUPAC3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCn1nnnc1C=Cc1ccccc1
InChIInChI=1S/C17H14N6O2/c24-17-22(16-14(25-17)7-4-10-18-16)11-12-23-15(19-20-21-23)9-8-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyFUZWVDVEWOHBTQ-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.85
Rot. Bonds5

About 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 91943763) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID91943763
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCn1nnnc1C=Cc1ccccc1
InChIInChI=1S/C17H14N6O2/c24-17-22(16-14(25-17)7-4-10-18-16)11-12-23-15(19-20-21-23)9-8-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyFUZWVDVEWOHBTQ-UHFFFAOYSA-N
XLogP1.85
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 91943763) is 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CCn1nnnc1C=Cc1ccccc1.
What is the InChIKey of 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is FUZWVDVEWOHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-17-22(16-14(25-17)7-4-10-18-16)11-12-23-15(19-20-21-23)9-8-13-5-2-1-3-6-13/h1-10H,11-12H2.
What are the key properties of 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 334.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 91943763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).