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

C23H21FN4O3 — CID 53107859

IUPAC2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
SMILESCc1nc(OCC(=O)NCCCc2ccccc2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C23H21FN4O3/c1-15-26-22(30-14-19(29)25-13-5-8-16-6-3-2-4-7-16)20-21(28-31-23(20)27-15)17-9-11-18(24)12-10-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,25,29)
InChIKeyALQPVUOUJSDHAK-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.86
Rot. Bonds8

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

2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide (PubChem CID 53107859) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
PubChem CID53107859
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
SMILESCc1nc(OCC(=O)NCCCc2ccccc2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C23H21FN4O3/c1-15-26-22(30-14-19(29)25-13-5-8-16-6-3-2-4-7-16)20-21(28-31-23(20)27-15)17-9-11-18(24)12-10-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,25,29)
InChIKeyALQPVUOUJSDHAK-UHFFFAOYSA-N
XLogP3.86
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53107866
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide
CID 46381772
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
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
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53108013
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-[(3R)-1,1-dioxothiolan-3-yl]-2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 93070893
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-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
CID 53199219

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide (CID 53107859) is 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide is Cc1nc(OCC(=O)NCCCc2ccccc2)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide?
The InChIKey is ALQPVUOUJSDHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-15-26-22(30-14-19(29)25-13-5-8-16-6-3-2-4-7-16)20-21(28-31-23(20)27-15)17-9-11-18(24)12-10-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,25,29).
What are the key properties of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide?
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide has a molecular weight of 420.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 53107859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).