5-methyl-1,3-oxazole

C4H5NO — CID 528411

IUPAC5-methyl-1,3-oxazole
SMILESCc1cnco1
InChIInChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3
InChIKeyZYMHCFYHVYGFMS-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.98
Rot. Bonds

About 5-methyl-1,3-oxazole

5-methyl-1,3-oxazole (PubChem CID 528411) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 5-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-1,3-oxazole
PubChem CID528411
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name5-methyl-1,3-oxazole
SMILESCc1cnco1
InChIInChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3
InChIKeyZYMHCFYHVYGFMS-UHFFFAOYSA-N
XLogP0.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyloxazole
CID 89961
2-Ethyl-5-methyloxazole
CID 528403
5-Methyl-2-propyloxazole
CID 529034
5-(Bromomethyl)oxazole
CID 11665457
5-(1-Methylethyl)oxazole
CID 12214112
5-Ethyl-1,3-oxazole
CID 12214113
5-(Chloromethyl)-1,3-oxazole
CID 15290880
5-Ethynyloxazole
CID 17875436
5-(Trifluoromethyl)-1,3-oxazole
CID 54409704
Oxazol-5-ylmethanamine
CID 23404337
(1,3-Oxazol-5-yl)methanamine dihydrochloride
CID 71811106
5-Ethenyl-1,3-oxazole
CID 14362061

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-oxazole?
The IUPAC name of 5-methyl-1,3-oxazole (CID 528411) 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.
What is the InChIKey of 5-methyl-1,3-oxazole?
The InChIKey is ZYMHCFYHVYGFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3.
What are the key properties of 5-methyl-1,3-oxazole?
5-methyl-1,3-oxazole has a molecular weight of 83.09 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-oxazole is sourced from PubChem (CID 528411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).