N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide

C23H22N4O3 — CID 46279916

IUPACN-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCCc1cccc(NC(=O)CCn2cnc3onc(-c4ccc(C)cc4)c3c2=O)c1
InChIInChI=1S/C23H22N4O3/c1-3-16-5-4-6-18(13-16)25-19(28)11-12-27-14-24-22-20(23(27)29)21(26-30-22)17-9-7-15(2)8-10-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,28)
InChIKeyIJZYNIHUSKFJFU-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.95
Rot. Bonds6

About N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide

N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide (PubChem CID 46279916) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
PubChem CID46279916
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCCc1cccc(NC(=O)CCn2cnc3onc(-c4ccc(C)cc4)c3c2=O)c1
InChIInChI=1S/C23H22N4O3/c1-3-16-5-4-6-18(13-16)25-19(28)11-12-27-14-24-22-20(23(27)29)21(26-30-22)17-9-7-15(2)8-10-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,28)
InChIKeyIJZYNIHUSKFJFU-UHFFFAOYSA-N
XLogP3.95
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3,5-difluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-ethylphenyl)propanamide
CID 50759175
N-(3-chlorophenyl)-2-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358080
3-[3-(4-ethylphenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)propanamide
CID 50827337
3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 92864334
N-[(2-chlorophenyl)methyl]-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279891
N-(2-ethoxyphenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 50759165
2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
CID 46358131
N-[(2-methoxyphenyl)methyl]-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279913
N-(2-fluorophenyl)-3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46280042
ethyl 4-[3-[3-(2-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzoate
CID 50759204
3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylpropanamide
CID 45106689
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide
CID 46568392

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide?
The IUPAC name of N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide (CID 46279916) is N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide is CCc1cccc(NC(=O)CCn2cnc3onc(-c4ccc(C)cc4)c3c2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide?
The InChIKey is IJZYNIHUSKFJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-16-5-4-6-18(13-16)25-19(28)11-12-27-14-24-22-20(23(27)29)21(26-30-22)17-9-7-15(2)8-10-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide?
N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide has a molecular weight of 402.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide is sourced from PubChem (CID 46279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).