N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide

C22H17FN4O3 — CID 67195743

IUPACN-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESCOc1nccc(-c2c(-c3ccc(F)cc3)noc2NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C22H17FN4O3/c1-29-22-24-12-11-17(25-22)19-20(15-7-9-16(23)10-8-15)27-30-21(19)26-18(28)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28)
InChIKeyLCPUJWPOJQESJX-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.13
Rot. Bonds6

About N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide

N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide (PubChem CID 67195743) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
PubChem CID67195743
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC NameN-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESCOc1nccc(-c2c(-c3ccc(F)cc3)noc2NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C22H17FN4O3/c1-29-22-24-12-11-17(25-22)19-20(15-7-9-16(23)10-8-15)27-30-21(19)26-18(28)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28)
InChIKeyLCPUJWPOJQESJX-UHFFFAOYSA-N
XLogP4.13
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide 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-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide (CID 67195743) is N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide is COc1nccc(-c2c(-c3ccc(F)cc3)noc2NC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide?
The InChIKey is LCPUJWPOJQESJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-29-22-24-12-11-17(25-22)19-20(15-7-9-16(23)10-8-15)27-30-21(19)26-18(28)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide?
N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide has a molecular weight of 404.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 67195743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).