N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide

C22H18ClN3O4 — CID 50805921

IUPACN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide
SMILESCc1cc2nc(COc3ccc(Cl)cc3NC(=O)Cc3ccccc3)cc(=O)n2o1
InChIInChI=1S/C22H18ClN3O4/c1-14-9-20-24-17(12-22(28)26(20)30-14)13-29-19-8-7-16(23)11-18(19)25-21(27)10-15-5-3-2-4-6-15/h2-9,11-12H,10,13H2,1H3,(H,25,27)
InChIKeyBNMAIJGKFITTII-UHFFFAOYSA-N
MW423.86 g/mol
LogP4.01
Rot. Bonds6

About N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide

N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide (PubChem CID 50805921) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide
PubChem CID50805921
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC NameN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide
SMILESCc1cc2nc(COc3ccc(Cl)cc3NC(=O)Cc3ccccc3)cc(=O)n2o1
InChIInChI=1S/C22H18ClN3O4/c1-14-9-20-24-17(12-22(28)26(20)30-14)13-29-19-8-7-16(23)11-18(19)25-21(27)10-15-5-3-2-4-6-15/h2-9,11-12H,10,13H2,1H3,(H,25,27)
InChIKeyBNMAIJGKFITTII-UHFFFAOYSA-N
XLogP4.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-N-[2-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methoxy)phenyl]benzamide
CID 16009478
N-[5-Methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 50764237
2-Fluoro-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]benzamide
CID 50805889
N-[5-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-3-fluorobenzamide
CID 50805905
N-[5-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-4-fluorobenzamide
CID 50805920
4-Fluoro-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]benzamide
CID 50805988
3-Fluoro-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]benzamide
CID 50806042
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 164852024
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 164852030
3-(5-Chloro-2-methoxyphenyl)-2-methylquinazolin-4-one
CID 63714
2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 24634292
4-Fluoro-N-[4-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]benzamide
CID 46258532

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide?
The IUPAC name of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide (CID 50805921) is N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide is Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)Cc3ccccc3)cc(=O)n2o1.
What is the InChIKey of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide?
The InChIKey is BNMAIJGKFITTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c1-14-9-20-24-17(12-22(28)26(20)30-14)13-29-19-8-7-16(23)11-18(19)25-21(27)10-15-5-3-2-4-6-15/h2-9,11-12H,10,13H2,1H3,(H,25,27).
What are the key properties of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide?
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide has a molecular weight of 423.86 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenylacetamide is sourced from PubChem (CID 50805921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).