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

C14H14N4O — CID 163311032

IUPAC4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCCn1ncnc1-c1ocnc1Cc1ccccc1
InChIInChI=1S/C14H14N4O/c1-2-18-14(15-9-17-18)13-12(16-10-19-13)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyMALVYJBZJWLELP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.54
Rot. Bonds4

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

4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole (PubChem CID 163311032) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
PubChem CID163311032
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCCn1ncnc1-c1ocnc1Cc1ccccc1
InChIInChI=1S/C14H14N4O/c1-2-18-14(15-9-17-18)13-12(16-10-19-13)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyMALVYJBZJWLELP-UHFFFAOYSA-N
XLogP2.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
CID 163316308
4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305968
4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305240
2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
CID 130529860
5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole
CID 72850941
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
CID 112545403
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 163307292
2-[4-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-1-morpholin-4-ylethanone
CID 163306576
4-(4-benzyl-1,3-oxazol-5-yl)morpholine
CID 135041945
2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
CID 163312376
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The IUPAC name of 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole (CID 163311032) is 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The canonical SMILES for 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole is CCn1ncnc1-c1ocnc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The InChIKey is MALVYJBZJWLELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-18-14(15-9-17-18)13-12(16-10-19-13)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole has a molecular weight of 254.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 163311032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).