5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole

C9H12N4O2 — CID 115393609

IUPAC5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
SMILESCOCCn1cnnc1-c1ocnc1C
InChIInChI=1S/C9H12N4O2/c1-7-8(15-6-10-7)9-12-11-5-13(9)3-4-14-2/h5-6H,3-4H2,1-2H3
InChIKeyGQWVYQRWQCFAQN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.89
Rot. Bonds4

About 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole

5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole (PubChem CID 115393609) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
PubChem CID115393609
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
SMILESCOCCn1cnnc1-c1ocnc1C
InChIInChI=1S/C9H12N4O2/c1-7-8(15-6-10-7)9-12-11-5-13(9)3-4-14-2/h5-6H,3-4H2,1-2H3
InChIKeyGQWVYQRWQCFAQN-UHFFFAOYSA-N
XLogP0.89
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393561
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
3-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55108013
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79392422
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole?
The IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole (CID 115393609) is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole?
The canonical SMILES for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole is COCCn1cnnc1-c1ocnc1C.
What is the InChIKey of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole?
The InChIKey is GQWVYQRWQCFAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-7-8(15-6-10-7)9-12-11-5-13(9)3-4-14-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole?
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole has a molecular weight of 208.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 115393609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).