2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide

C18H19FN4O4 — CID 46381772

IUPAC2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1nc(C)nc2onc(-c3cccc(F)c3)c12
InChIInChI=1S/C18H19FN4O4/c1-11-21-17(26-10-14(24)20-7-4-8-25-2)15-16(23-27-18(15)22-11)12-5-3-6-13(19)9-12/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,20,24)
InChIKeyASTQRVZWPFRXOH-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.26
Rot. Bonds8

About 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide

2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide (PubChem CID 46381772) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide
PubChem CID46381772
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1nc(C)nc2onc(-c3cccc(F)c3)c12
InChIInChI=1S/C18H19FN4O4/c1-11-21-17(26-10-14(24)20-7-4-8-25-2)15-16(23-27-18(15)22-11)12-5-3-6-13(19)9-12/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,20,24)
InChIKeyASTQRVZWPFRXOH-UHFFFAOYSA-N
XLogP2.26
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53107866
N-[[4-(dimethylamino)phenyl]methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107968
N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107963
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
CID 53107859
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53108013
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107788
N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107933
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide (CID 46381772) is 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1nc(C)nc2onc(-c3cccc(F)c3)c12.
What is the InChIKey of 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is ASTQRVZWPFRXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-11-21-17(26-10-14(24)20-7-4-8-25-2)15-16(23-27-18(15)22-11)12-5-3-6-13(19)9-12/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,20,24).
What are the key properties of 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide?
2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 374.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 46381772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).