4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one

C28H24N2O3 — CID 57331391

IUPAC4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2nc(-c3ccccc3)oc2C(c2ccccc2)c2ccc(C)o2)c(=O)[nH]1
InChIInChI=1S/C28H24N2O3/c1-17-16-18(2)29-27(31)23(17)25-26(33-28(30-25)21-12-8-5-9-13-21)24(20-10-6-4-7-11-20)22-15-14-19(3)32-22/h4-16,24H,1-3H3,(H,29,31)
InChIKeyFJNMGCSZQNRTAR-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.40
Rot. Bonds5

About 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one

4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one (PubChem CID 57331391) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one
PubChem CID57331391
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2nc(-c3ccccc3)oc2C(c2ccccc2)c2ccc(C)o2)c(=O)[nH]1
InChIInChI=1S/C28H24N2O3/c1-17-16-18(2)29-27(31)23(17)25-26(33-28(30-25)21-12-8-5-9-13-21)24(20-10-6-4-7-11-20)22-15-14-19(3)32-22/h4-16,24H,1-3H3,(H,29,31)
InChIKeyFJNMGCSZQNRTAR-UHFFFAOYSA-N
XLogP6.40
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one
CID 2305660
4-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 621416
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole
CID 71713720
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136764434
6-methyl-3-phenyl-7H-pyrano[3,4-c]pyridine-1,8-dione
CID 24773442
2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136914532
(1E)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
CID 684188
2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82096845
5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one
CID 165356399
4-(4-methoxyphenyl)-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135908852

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one (CID 57331391) is 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one is Cc1cc(C)c(-c2nc(-c3ccccc3)oc2C(c2ccccc2)c2ccc(C)o2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one?
The InChIKey is FJNMGCSZQNRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-17-16-18(2)29-27(31)23(17)25-26(33-28(30-25)21-12-8-5-9-13-21)24(20-10-6-4-7-11-20)22-15-14-19(3)32-22/h4-16,24H,1-3H3,(H,29,31).
What are the key properties of 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one?
4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one has a molecular weight of 436.51 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 57331391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).