2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole

C20H22FN5O2 — CID 126791585

IUPAC2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole
SMILESCCOc1ccnc(N2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)n1
InChIInChI=1S/C20H22FN5O2/c1-2-27-18-7-8-22-20(24-18)26-11-9-25(10-12-26)14-19-23-13-17(28-19)15-5-3-4-6-16(15)21/h3-8,13H,2,9-12,14H2,1H3
InChIKeyKGAWHADCPQVNQB-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.99
Rot. Bonds6

About 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole

2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole (PubChem CID 126791585) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole
PubChem CID126791585
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole
SMILESCCOc1ccnc(N2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)n1
InChIInChI=1S/C20H22FN5O2/c1-2-27-18-7-8-22-20(24-18)26-11-9-25(10-12-26)14-19-23-13-17(28-19)15-5-3-4-6-16(15)21/h3-8,13H,2,9-12,14H2,1H3
InChIKeyKGAWHADCPQVNQB-UHFFFAOYSA-N
XLogP2.99
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole with MolForge

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Related Compounds

2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119920467
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 115974288
5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole
CID 126791858
(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129483204
8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
CID 24733614
3-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122029405
4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine
CID 166364383
4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 161200423
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 166604747

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole (CID 126791585) is 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole is CCOc1ccnc(N2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)n1.
What is the InChIKey of 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole?
The InChIKey is KGAWHADCPQVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-2-27-18-7-8-22-20(24-18)26-11-9-25(10-12-26)14-19-23-13-17(28-19)15-5-3-4-6-16(15)21/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole?
2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole has a molecular weight of 383.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 126791585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).