3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide

C22H20N4O3 — CID 50827199

IUPAC3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCn1cnc2c(-c3ccccc3)noc2c1=O)c1ccccc1
InChIInChI=1S/C22H20N4O3/c1-15(16-8-4-2-5-9-16)24-18(27)12-13-26-14-23-20-19(17-10-6-3-7-11-17)25-29-21(20)22(26)28/h2-11,14-15H,12-13H2,1H3,(H,24,27)
InChIKeyMDFNBKMURJEGJR-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.32
Rot. Bonds6

About 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide

3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide (PubChem CID 50827199) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
PubChem CID50827199
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCn1cnc2c(-c3ccccc3)noc2c1=O)c1ccccc1
InChIInChI=1S/C22H20N4O3/c1-15(16-8-4-2-5-9-16)24-18(27)12-13-26-14-23-20-19(17-10-6-3-7-11-17)25-29-21(20)22(26)28/h2-11,14-15H,12-13H2,1H3,(H,24,27)
InChIKeyMDFNBKMURJEGJR-UHFFFAOYSA-N
XLogP3.32
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 92864334
N-[(4-methylphenyl)methyl]-3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)propanamide
CID 50827110
N-[(2-chlorophenyl)methyl]-3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)propanamide
CID 50826993
N-(2-methoxy-5-methylphenyl)-3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)propanamide
CID 50827167
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]propanamide
CID 50826975
3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 51691496
3-[3-(4-ethylphenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide
CID 50827325
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
CID 18134744
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 7425559
3-[3-(4-fluorophenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 50827277
3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 146107577
3-[3-(4-ethylphenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)propanamide
CID 50827337

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide (CID 50827199) is 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCn1cnc2c(-c3ccccc3)noc2c1=O)c1ccccc1.
What is the InChIKey of 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is MDFNBKMURJEGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(16-8-4-2-5-9-16)24-18(27)12-13-26-14-23-20-19(17-10-6-3-7-11-17)25-29-21(20)22(26)28/h2-11,14-15H,12-13H2,1H3,(H,24,27).
What are the key properties of 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide?
3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 50827199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).