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

C21H15ClF2N4O3 — CID 53107963

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
SMILESCc1nc(OCC(=O)NCc2ccc(F)cc2Cl)c2c(-c3cccc(F)c3)noc2n1
InChIInChI=1S/C21H15ClF2N4O3/c1-11-26-20(30-10-17(29)25-9-13-5-6-15(24)8-16(13)22)18-19(28-31-21(18)27-11)12-3-2-4-14(23)7-12/h2-8H,9-10H2,1H3,(H,25,29)
InChIKeyNHOXPOUDPSOZMC-UHFFFAOYSA-N
MW444.83 g/mol
LogP4.22
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide (PubChem CID 53107963) has the molecular formula C21H15ClF2N4O3 and a molecular weight of 444.83 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
PubChem CID53107963
Molecular FormulaC21H15ClF2N4O3
Molecular Weight444.83 g/mol
Exact Mass444.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
SMILESCc1nc(OCC(=O)NCc2ccc(F)cc2Cl)c2c(-c3cccc(F)c3)noc2n1
InChIInChI=1S/C21H15ClF2N4O3/c1-11-26-20(30-10-17(29)25-9-13-5-6-15(24)8-16(13)22)18-19(28-31-21(18)27-11)12-3-2-4-14(23)7-12/h2-8H,9-10H2,1H3,(H,25,29)
InChIKeyNHOXPOUDPSOZMC-UHFFFAOYSA-N
XLogP4.22
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
The IUPAC name of 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) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide is Cc1nc(OCC(=O)NCc2ccc(F)cc2Cl)c2c(-c3cccc(F)c3)noc2n1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
The InChIKey is NHOXPOUDPSOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N4O3/c1-11-26-20(30-10-17(29)25-9-13-5-6-15(24)8-16(13)22)18-19(28-31-21(18)27-11)12-3-2-4-14(23)7-12/h2-8H,9-10H2,1H3,(H,25,29).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide has a molecular weight of 444.83 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide is sourced from PubChem (CID 53107963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).