3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide

C22H20N4O4 — CID 56544822

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCCc1ccc(-c2cc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)on2)cc1
InChIInChI=1S/C22H20N4O4/c1-2-14-7-9-15(10-8-14)17-13-20(30-25-17)23-19(27)11-12-26-18-6-4-3-5-16(18)21(28)24-22(26)29/h3-10,13H,2,11-12H2,1H3,(H,23,27)(H,24,28,29)
InChIKeyXDGSAJOXAHQYGA-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.94
Rot. Bonds6

About 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide (PubChem CID 56544822) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
PubChem CID56544822
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCCc1ccc(-c2cc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)on2)cc1
InChIInChI=1S/C22H20N4O4/c1-2-14-7-9-15(10-8-14)17-13-20(30-25-17)23-19(27)11-12-26-18-6-4-3-5-16(18)21(28)24-22(26)29/h3-10,13H,2,11-12H2,1H3,(H,23,27)(H,24,28,29)
InChIKeyXDGSAJOXAHQYGA-UHFFFAOYSA-N
XLogP2.94
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 56530025
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 56544663
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 56530041
3-(2,4-dioxoquinazolin-1-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 24598058
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
methyl 4-[2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55530956
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide (CID 56544822) is 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide is CCc1ccc(-c2cc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)on2)cc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is XDGSAJOXAHQYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-2-14-7-9-15(10-8-14)17-13-20(30-25-17)23-19(27)11-12-26-18-6-4-3-5-16(18)21(28)24-22(26)29/h3-10,13H,2,11-12H2,1H3,(H,23,27)(H,24,28,29).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 404.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 56544822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).