2-(1-methylimidazol-2-yl)-1,3-oxazole

C7H7N3O — CID 91564906

IUPAC2-(1-methylimidazol-2-yl)-1,3-oxazole
SMILESCn1ccnc1-c1ncco1
InChIInChI=1S/C7H7N3O/c1-10-4-2-8-6(10)7-9-3-5-11-7/h2-5H,1H3
InChIKeyQNCKZDMEFVTQNZ-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.08
Rot. Bonds1

About 2-(1-methylimidazol-2-yl)-1,3-oxazole

2-(1-methylimidazol-2-yl)-1,3-oxazole (PubChem CID 91564906) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1,3-oxazole
PubChem CID91564906
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-(1-methylimidazol-2-yl)-1,3-oxazole
SMILESCn1ccnc1-c1ncco1
InChIInChI=1S/C7H7N3O/c1-10-4-2-8-6(10)7-9-3-5-11-7/h2-5H,1H3
InChIKeyQNCKZDMEFVTQNZ-UHFFFAOYSA-N
XLogP1.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo[2,1-b]oxazole
CID 21876618
Imidazo[5,1-b]oxazole
CID 21876709
2-(Imidazol-1-yloxymethyl)-1,3-oxazole
CID 18172065
Imidazo[2,1-b][1,3]oxazole-5,6-diamine
CID 21107673
Imidazo[2,1-b][1,3]oxazol-5-amine
CID 21107674
Imidazo[2,1-b][1,3]oxazol-6-amine
CID 21107675
Imidazo[2,1-b][1,3]oxazol-6-ol
CID 21107676
Imidazo[5,1-b][1,3]oxazole-2,3-diamine
CID 21107697
Imidazo[5,1-b][1,3]oxazole-3,5-diamine
CID 21107701
Imidazo[5,1-b][1,3]oxazole-5,7-diamine
CID 21107704
Imidazo[5,1-b][1,3]oxazol-5-amine
CID 21107705
Imidazo[5,1-b][1,3]oxazol-7-amine
CID 21107706

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1,3-oxazole?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1,3-oxazole (CID 91564906) is 2-(1-methylimidazol-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1,3-oxazole is Cn1ccnc1-c1ncco1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1,3-oxazole?
The InChIKey is QNCKZDMEFVTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-10-4-2-8-6(10)7-9-3-5-11-7/h2-5H,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1,3-oxazole?
2-(1-methylimidazol-2-yl)-1,3-oxazole has a molecular weight of 149.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1,3-oxazole is sourced from PubChem (CID 91564906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).