1-methylimidazole;1,2-oxazole;1,3-oxazole

C10H12N4O2 — CID 157449763

IUPAC1-methylimidazole;1,2-oxazole;1,3-oxazole
SMILESCn1ccnc1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H6N2.2C3H3NO/c1-6-3-2-5-4-6;1-2-5-3-4-1;1-2-4-5-3-1/h2-4H,1H3;2*1-3H
InChIKeyBSQVEQJFTISHJC-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.77
Rot. Bonds

About 1-methylimidazole;1,2-oxazole;1,3-oxazole

1-methylimidazole;1,2-oxazole;1,3-oxazole (PubChem CID 157449763) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-methylimidazole;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name1-methylimidazole;1,2-oxazole;1,3-oxazole
PubChem CID157449763
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-methylimidazole;1,2-oxazole;1,3-oxazole
SMILESCn1ccnc1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H6N2.2C3H3NO/c1-6-3-2-5-4-6;1-2-5-3-4-1;1-2-4-5-3-1/h2-4H,1H3;2*1-3H
InChIKeyBSQVEQJFTISHJC-UHFFFAOYSA-N
XLogP1.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1,2-oxazole;1,3-oxazole?
The IUPAC name of 1-methylimidazole;1,2-oxazole;1,3-oxazole (CID 157449763) is 1-methylimidazole;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 1-methylimidazole;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 1-methylimidazole;1,2-oxazole;1,3-oxazole is Cn1ccnc1.c1cnoc1.c1cocn1.
What is the InChIKey of 1-methylimidazole;1,2-oxazole;1,3-oxazole?
The InChIKey is BSQVEQJFTISHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.2C3H3NO/c1-6-3-2-5-4-6;1-2-5-3-4-1;1-2-4-5-3-1/h2-4H,1H3;2*1-3H.
What are the key properties of 1-methylimidazole;1,2-oxazole;1,3-oxazole?
1-methylimidazole;1,2-oxazole;1,3-oxazole has a molecular weight of 220.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 157449763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).