4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole

C15H21N7O2 — CID 160695500

IUPAC4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole
SMILESCc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/C4H6N2.2C4H5NO.C3H5N3/c1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-6-3-4-2-5-6/h2-4H,1H3;3*2-3H,1H3
InChIKeyRPYDYOGXEMSIGT-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.20
Rot. Bonds

About 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole

4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole (PubChem CID 160695500) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole
PubChem CID160695500
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole
SMILESCc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/C4H6N2.2C4H5NO.C3H5N3/c1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-6-3-4-2-5-6/h2-4H,1H3;3*2-3H,1H3
InChIKeyRPYDYOGXEMSIGT-UHFFFAOYSA-N
XLogP2.20
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-Methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
CID 159751299
Methane;4-methylmorpholine;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);1-methylpyrazole;1-methyl-1,2,4-triazole
CID 161006760

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole?
The IUPAC name of 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole (CID 160695500) is 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole is Cc1cnco1.Cc1cocn1.Cn1cccn1.Cn1cncn1.
What is the InChIKey of 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole?
The InChIKey is RPYDYOGXEMSIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.2C4H5NO.C3H5N3/c1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-6-3-4-2-5-6/h2-4H,1H3;3*2-3H,1H3.
What are the key properties of 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole?
4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole has a molecular weight of 331.38 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 160695500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).