(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C21H17N3O4 — CID 46648710

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCc3cc(-c4ccccc4)on3)cnc12
InChIInChI=1S/C21H17N3O4/c1-14-6-5-9-17-20(14)22-13-24(21(17)26)11-19(25)27-12-16-10-18(28-23-16)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3
InChIKeyYUHFXPBDXQFQNL-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.10
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 46648710) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID46648710
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCc3cc(-c4ccccc4)on3)cnc12
InChIInChI=1S/C21H17N3O4/c1-14-6-5-9-17-20(14)22-13-24(21(17)26)11-19(25)27-12-16-10-18(28-23-16)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3
InChIKeyYUHFXPBDXQFQNL-UHFFFAOYSA-N
XLogP3.10
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27939323
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938787
(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55554777
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649178
(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 24529030
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 8938838
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 51273261

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 46648710) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is Cc1cccc2c(=O)n(CC(=O)OCc3cc(-c4ccccc4)on3)cnc12.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is YUHFXPBDXQFQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-14-6-5-9-17-20(14)22-13-24(21(17)26)11-19(25)27-12-16-10-18(28-23-16)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 375.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 46648710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).