2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole

C9H8N4O — CID 57191720

IUPAC2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)nnn2C1=NCCO1
InChIInChI=1S/C9H8N4O/c1-2-4-8-7(3-1)11-12-13(8)9-10-5-6-14-9/h1-4H,5-6H2
InChIKeyGZYUZFZVIVCHDV-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.67
Rot. Bonds

About 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole

2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 57191720) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole
PubChem CID57191720
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)nnn2C1=NCCO1
InChIInChI=1S/C9H8N4O/c1-2-4-8-7(3-1)11-12-13(8)9-10-5-6-14-9/h1-4H,5-6H2
InChIKeyGZYUZFZVIVCHDV-UHFFFAOYSA-N
XLogP0.67
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole (CID 57191720) is 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole is c1ccc2c(c1)nnn2C1=NCCO1.
What is the InChIKey of 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GZYUZFZVIVCHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-2-4-8-7(3-1)11-12-13(8)9-10-5-6-14-9/h1-4H,5-6H2.
What are the key properties of 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole?
2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 188.19 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57191720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).