N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide

C24H21FN4O3 — CID 67196204

IUPACN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(N(C(C)=O)c2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1
InChIInChI=1S/C24H21FN4O3/c1-3-13-31-20-6-4-5-19(14-20)29(16(2)30)24-22(21-11-12-26-15-27-21)23(28-32-24)17-7-9-18(25)10-8-17/h4-12,14-15H,3,13H2,1-2H3
InChIKeyJZCLGWNIXNQIRN-UHFFFAOYSA-N
MW432.46 g/mol
LogP5.41
Rot. Bonds7

About N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide

N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide (PubChem CID 67196204) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide
PubChem CID67196204
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(N(C(C)=O)c2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1
InChIInChI=1S/C24H21FN4O3/c1-3-13-31-20-6-4-5-19(14-20)29(16(2)30)24-22(21-11-12-26-15-27-21)23(28-32-24)17-7-9-18(25)10-8-17/h4-12,14-15H,3,13H2,1-2H3
InChIKeyJZCLGWNIXNQIRN-UHFFFAOYSA-N
XLogP5.41
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide (CID 67196204) is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide is CCCOc1cccc(N(C(C)=O)c2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide?
The InChIKey is JZCLGWNIXNQIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-3-13-31-20-6-4-5-19(14-20)29(16(2)30)24-22(21-11-12-26-15-27-21)23(28-32-24)17-7-9-18(25)10-8-17/h4-12,14-15H,3,13H2,1-2H3.
What are the key properties of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide?
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide has a molecular weight of 432.46 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide is sourced from PubChem (CID 67196204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).