2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole

C7H8N4O — CID 20770503

IUPAC2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole
SMILESCCc1ncc(-c2ncn[nH]2)o1
InChIInChI=1S/C7H8N4O/c1-2-6-8-3-5(12-6)7-9-4-10-11-7/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyUAPCRNFTHSUVTF-UHFFFAOYSA-N
MW164.17 g/mol
LogP1.02
Rot. Bonds2

About 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole

2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole (PubChem CID 20770503) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole
PubChem CID20770503
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole
SMILESCCc1ncc(-c2ncn[nH]2)o1
InChIInChI=1S/C7H8N4O/c1-2-6-8-3-5(12-6)7-9-4-10-11-7/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyUAPCRNFTHSUVTF-UHFFFAOYSA-N
XLogP1.02
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole?
The IUPAC name of 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole (CID 20770503) is 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole?
The canonical SMILES for 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole is CCc1ncc(-c2ncn[nH]2)o1.
What is the InChIKey of 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole?
The InChIKey is UAPCRNFTHSUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-2-6-8-3-5(12-6)7-9-4-10-11-7/h3-4H,2H2,1H3,(H,9,10,11).
What are the key properties of 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole?
2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole has a molecular weight of 164.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 20770503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).