1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione

C23H23N3O3 — CID 95917380

IUPAC1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21
InChIInChI=1S/C23H23N3O3/c1-15(2)13-26-22(27)18-11-7-8-12-20(18)25(23(26)28)14-19-16(3)29-21(24-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeyLBKWYQRAWYDZCY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.83
Rot. Bonds5

About 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione

1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione (PubChem CID 95917380) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
PubChem CID95917380
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21
InChIInChI=1S/C23H23N3O3/c1-15(2)13-26-22(27)18-11-7-8-12-20(18)25(23(26)28)14-19-16(3)29-21(24-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeyLBKWYQRAWYDZCY-UHFFFAOYSA-N
XLogP3.83
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione with MolForge

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Related Compounds

5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
CID 24623437
3-ethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 46297490
3-benzyl-7-(2-methylpropyl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione
CID 112808566
10-(2-methylpropyl)acridin-9-one
CID 59742563
1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one
CID 31522663
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one
CID 46297519
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
CID 30850052
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
1-(2-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250669
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 18150014
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide
CID 31842412

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
The IUPAC name of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione (CID 95917380) is 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione is Cc1oc(-c2ccccc2)nc1Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21.
What is the InChIKey of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
The InChIKey is LBKWYQRAWYDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)13-26-22(27)18-11-7-8-12-20(18)25(23(26)28)14-19-16(3)29-21(24-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione is sourced from PubChem (CID 95917380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).