imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C14H11N3O2 — CID 166108738

IUPACimidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1ccnc1
InChIInChI=1S/C14H11N3O2/c1-10-12(14(18)17-8-7-15-9-17)13(16-19-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyMQBSPUAQVFCPKB-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.54
Rot. Bonds2

About imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 166108738) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID166108738
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Nameimidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1ccnc1
InChIInChI=1S/C14H11N3O2/c1-10-12(14(18)17-8-7-15-9-17)13(16-19-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyMQBSPUAQVFCPKB-UHFFFAOYSA-N
XLogP2.54
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 166108738) is imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is MQBSPUAQVFCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-12(14(18)17-8-7-15-9-17)13(16-19-10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 166108738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).