(2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone

C18H16NO2+ — CID 134100012

IUPAC(2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)c(-c2ccccc2)o[n+]1C
InChIInChI=1S/C18H16NO2/c1-13-16(17(20)14-9-5-3-6-10-14)18(21-19(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3/q+1
InChIKeyDKIRKVBEEXWEJA-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.31
Rot. Bonds3

About (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone

(2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone (PubChem CID 134100012) has the molecular formula C18H16NO2+ and a molecular weight of 278.33 g/mol. Its IUPAC name is (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone
PubChem CID134100012
Molecular FormulaC18H16NO2+
Molecular Weight278.33 g/mol
Exact Mass278.12
IUPAC Name(2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)c(-c2ccccc2)o[n+]1C
InChIInChI=1S/C18H16NO2/c1-13-16(17(20)14-9-5-3-6-10-14)18(21-19(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3/q+1
InChIKeyDKIRKVBEEXWEJA-UHFFFAOYSA-N
XLogP3.31
TPSA34.09 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

phenyl-(4-phenylphenyl)methanone
CID 155775877
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[4-(2,2-diphenylethenyl)-5-methyl-2-phenylfuran-3-yl]-phenylmethanone
CID 71489456
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
CID 134835808
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
CID 101099936
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone?
The IUPAC name of (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone (CID 134100012) is (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone.
What is the SMILES notation for (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone?
The canonical SMILES for (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)c(-c2ccccc2)o[n+]1C.
What is the InChIKey of (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone?
The InChIKey is DKIRKVBEEXWEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO2/c1-13-16(17(20)14-9-5-3-6-10-14)18(21-19(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3/q+1.
What are the key properties of (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone?
(2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone has a molecular weight of 278.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-5-phenyl-1,2-oxazol-2-ium-4-yl)-phenylmethanone is sourced from PubChem (CID 134100012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).