2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole

C8H4N2O2 — CID 90278010

IUPAC2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole
SMILESC(#Cc1ncco1)c1ncco1
InChIInChI=1S/C8H4N2O2/c1(7-9-3-5-11-7)2-8-10-4-6-12-8/h3-6H
InChIKeyGLTSWGRYOSHOAY-UHFFFAOYSA-N
MW160.13 g/mol
LogP1.06
Rot. Bonds

About 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole

2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole (PubChem CID 90278010) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole
PubChem CID90278010
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Name2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole
SMILESC(#Cc1ncco1)c1ncco1
InChIInChI=1S/C8H4N2O2/c1(7-9-3-5-11-7)2-8-10-4-6-12-8/h3-6H
InChIKeyGLTSWGRYOSHOAY-UHFFFAOYSA-N
XLogP1.06
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbut-1-ynyl)-1,3-oxazole
CID 59202108
2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane
CID 135075382
carbon dioxide;2-ethynyl-1,3-oxazole
CID 159343815
2-isothiocyanato-1,3-oxazole
CID 23062290
2-(dichloromethyl)-1,3-oxazole
CID 53407610
2-methyliodanuidyl-1,3-oxazole
CID 147833148
2-(dideuteriomethyl)-1,3-oxazole
CID 167525558
trimethyl(1,3-oxazol-2-yl)-λ4-sulfane
CID 90872919
2-phosphoroso-1,3-oxazole
CID 174296677
2-(difluoromethyl)-1,3-oxazole
CID 142510645
2-(1,3-oxazol-2-yl)propanenitrile
CID 119087354
2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile
CID 71743317

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole?
The IUPAC name of 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole (CID 90278010) is 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole is C(#Cc1ncco1)c1ncco1.
What is the InChIKey of 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole?
The InChIKey is GLTSWGRYOSHOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c1(7-9-3-5-11-7)2-8-10-4-6-12-8/h3-6H.
What are the key properties of 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole?
2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole has a molecular weight of 160.13 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole is sourced from PubChem (CID 90278010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).