(5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate

C21H17N3O5 — CID 42089701

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H17N3O5/c25-19(28-13-15-12-18(29-23-15)14-6-2-1-3-7-14)10-11-24-17-9-5-4-8-16(17)20(26)22-21(24)27/h1-9,12H,10-11,13H2,(H,22,26,27)
InChIKeyZFDZGQWJHCUOTM-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.48
Rot. Bonds6

About (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate

(5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate (PubChem CID 42089701) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate
PubChem CID42089701
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H17N3O5/c25-19(28-13-15-12-18(29-23-15)14-6-2-1-3-7-14)10-11-24-17-9-5-4-8-16(17)20(26)22-21(24)27/h1-9,12H,10-11,13H2,(H,22,26,27)
InChIKeyZFDZGQWJHCUOTM-UHFFFAOYSA-N
XLogP2.48
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate
CID 71935549
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
CID 94819466
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449171
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
CID 8568214
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46648710
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-benzylsulfanylacetate
CID 16869606
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 39968645
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8568914
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate (CID 42089701) is (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate?
The InChIKey is ZFDZGQWJHCUOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-19(28-13-15-12-18(29-23-15)14-6-2-1-3-7-14)10-11-24-17-9-5-4-8-16(17)20(26)22-21(24)27/h1-9,12H,10-11,13H2,(H,22,26,27).
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate has a molecular weight of 391.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 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 3-(2,4-dioxoquinazolin-1-yl)propanoate is sourced from PubChem (CID 42089701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).