4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole

C7H7N3O — CID 70194517

IUPAC4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ncc[nH]2)co1
InChIInChI=1S/C7H7N3O/c1-5-10-6(4-11-5)7-8-2-3-9-7/h2-4H,1H3,(H,8,9)
InChIKeyPKWQDBQEOLTLPS-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.37
Rot. Bonds1

About 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole

4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole (PubChem CID 70194517) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole
PubChem CID70194517
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ncc[nH]2)co1
InChIInChI=1S/C7H7N3O/c1-5-10-6(4-11-5)7-8-2-3-9-7/h2-4H,1H3,(H,8,9)
InChIKeyPKWQDBQEOLTLPS-UHFFFAOYSA-N
XLogP1.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole (CID 70194517) is 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole is Cc1nc(-c2ncc[nH]2)co1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole?
The InChIKey is PKWQDBQEOLTLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-10-6(4-11-5)7-8-2-3-9-7/h2-4H,1H3,(H,8,9).
What are the key properties of 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole?
4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole has a molecular weight of 149.15 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 70194517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).