N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

C20H14ClFN4O3 — CID 22581179

IUPACN-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1cnc2onc(-c3ccccc3F)c2c1=O
InChIInChI=1S/C20H14ClFN4O3/c1-11-6-7-12(21)8-15(11)24-16(27)9-26-10-23-19-17(20(26)28)18(25-29-19)13-4-2-3-5-14(13)22/h2-8,10H,9H2,1H3,(H,24,27)
InChIKeyKTZCJGKWHQIZDL-UHFFFAOYSA-N
MW412.81 g/mol
LogP3.79
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 22581179) has the molecular formula C20H14ClFN4O3 and a molecular weight of 412.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID22581179
Molecular FormulaC20H14ClFN4O3
Molecular Weight412.81 g/mol
Exact Mass412.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1cnc2onc(-c3ccccc3F)c2c1=O
InChIInChI=1S/C20H14ClFN4O3/c1-11-6-7-12(21)8-15(11)24-16(27)9-26-10-23-19-17(20(26)28)18(25-29-19)13-4-2-3-5-14(13)22/h2-8,10H,9H2,1H3,(H,24,27)
InChIKeyKTZCJGKWHQIZDL-UHFFFAOYSA-N
XLogP3.79
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358070
2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
CID 46358067
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46350116
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(5-chloro-2-methylphenyl)-2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786475
N-(3-chlorophenyl)-2-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358080
N-(4-chloro-2-fluorophenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46280000
3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-fluorophenyl)propanamide
CID 50759236
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
CID 46350111
N-(5-chloro-2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841671
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024146

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 22581179) is N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1cnc2onc(-c3ccccc3F)c2c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is KTZCJGKWHQIZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O3/c1-11-6-7-12(21)8-15(11)24-16(27)9-26-10-23-19-17(20(26)28)18(25-29-19)13-4-2-3-5-14(13)22/h2-8,10H,9H2,1H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 412.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 22581179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).