5-methyl-1,3-oxazole

C8H10N2O2 — CID 143294178

IUPAC5-methyl-1,3-oxazole
SMILESCc1cnco1.Cc1cnco1
InChIInChI=1S/2C4H5NO/c2*1-4-2-5-3-6-4/h2*2-3H,1H3
InChIKeyGFXHUVKFETVNCO-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.97
Rot. Bonds

About 5-methyl-1,3-oxazole

5-methyl-1,3-oxazole (PubChem CID 143294178) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-1,3-oxazole
PubChem CID143294178
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-methyl-1,3-oxazole
SMILESCc1cnco1.Cc1cnco1
InChIInChI=1S/2C4H5NO/c2*1-4-2-5-3-6-4/h2*2-3H,1H3
InChIKeyGFXHUVKFETVNCO-UHFFFAOYSA-N
XLogP1.97
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 123835160
CID 123835160
1,3-oxazol-5-ylphosphane
CID 143976515
ethane;5-ethyl-1,3-oxazole
CID 142253106
2-(1,3-oxazol-5-yl)propan-2-amine
CID 82593655
bis(1,3-oxazol-5-yl)methanol
CID 175811606
5-(3,5-dimethylphenoxy)-1,3-oxazole
CID 90824960
2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline
CID 134480266
5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline
CID 159378893
5-(3-fluoro-5-methylphenyl)-1,3-oxazole
CID 89094938
5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole
CID 90400201
N-methyl-N-(1,3-oxazol-5-ylmethyl)hydroxylamine
CID 82593723
5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole
CID 129256148

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-oxazole?
The IUPAC name of 5-methyl-1,3-oxazole (CID 143294178) is 5-methyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-1,3-oxazole?
The canonical SMILES for 5-methyl-1,3-oxazole is Cc1cnco1.Cc1cnco1.
What is the InChIKey of 5-methyl-1,3-oxazole?
The InChIKey is GFXHUVKFETVNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO/c2*1-4-2-5-3-6-4/h2*2-3H,1H3.
What are the key properties of 5-methyl-1,3-oxazole?
5-methyl-1,3-oxazole has a molecular weight of 166.18 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-oxazole is sourced from PubChem (CID 143294178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).