4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one

C26H20N4O2 — CID 3297198

IUPAC4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one
SMILESCc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)nc1Nc1ccccc1
InChIInChI=1S/C26H20N4O2/c1-18-17-30(26(31)28-23(18)27-21-15-9-4-10-16-21)24-22(19-11-5-2-6-12-19)32-25(29-24)20-13-7-3-8-14-20/h2-17H,1H3,(H,27,28,31)
InChIKeyVDTLRJXQSBPBCS-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.61
Rot. Bonds5

About 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one

4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one (PubChem CID 3297198) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one
PubChem CID3297198
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one
SMILESCc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)nc1Nc1ccccc1
InChIInChI=1S/C26H20N4O2/c1-18-17-30(26(31)28-23(18)27-21-15-9-4-10-16-21)24-22(19-11-5-2-6-12-19)32-25(29-24)20-13-7-3-8-14-20/h2-17H,1H3,(H,27,28,31)
InChIKeyVDTLRJXQSBPBCS-UHFFFAOYSA-N
XLogP5.61
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-morpholin-4-ylpyrimidin-2-one
CID 980411
1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one
CID 18558806
1-[5-(4-chloro-3-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazol-4-yl]-5-fluoro-4-(trideuteriomethylamino)pyrimidin-2-one
CID 171098750
5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione
CID 171098823
3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one
CID 66846643
N,5-diphenyloxadiazol-4-amine
CID 67789577
2-(2,5-diphenyl-1,3-oxazol-4-yl)-3-methylcyclohex-2-en-1-one
CID 162398173
N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
CID 14269261
7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one
CID 171098995
4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328810
4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one?
The IUPAC name of 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one (CID 3297198) is 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one?
The canonical SMILES for 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one is Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)nc1Nc1ccccc1.
What is the InChIKey of 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one?
The InChIKey is VDTLRJXQSBPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-18-17-30(26(31)28-23(18)27-21-15-9-4-10-16-21)24-22(19-11-5-2-6-12-19)32-25(29-24)20-13-7-3-8-14-20/h2-17H,1H3,(H,27,28,31).
What are the key properties of 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one?
4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one has a molecular weight of 420.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 3297198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).