N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

C26H26FN5O3 — CID 46364349

IUPACN-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1
InChIInChI=1S/C26H26FN5O3/c1-2-34-21-9-4-3-6-19(21)15-28-25(33)17-10-12-32(13-11-17)24-22-23(18-7-5-8-20(27)14-18)31-35-26(22)30-16-29-24/h3-9,14,16-17H,2,10-13,15H2,1H3,(H,28,33)
InChIKeyRKZSFEDJNUNMRC-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.36
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 46364349) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID46364349
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1
InChIInChI=1S/C26H26FN5O3/c1-2-34-21-9-4-3-6-19(21)15-28-25(33)17-10-12-32(13-11-17)24-22-23(18-7-5-8-20(27)14-18)31-35-26(22)30-16-29-24/h3-9,14,16-17H,2,10-13,15H2,1H3,(H,28,33)
InChIKeyRKZSFEDJNUNMRC-UHFFFAOYSA-N
XLogP4.36
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46364342
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46364357
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46364341
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92877403
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745889
N-[(2-ethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115627
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46364219
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364310
N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364269
N-(2-ethylphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 20924830

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 46364349) is N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is RKZSFEDJNUNMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-2-34-21-9-4-3-6-19(21)15-28-25(33)17-10-12-32(13-11-17)24-22-23(18-7-5-8-20(27)14-18)31-35-26(22)30-16-29-24/h3-9,14,16-17H,2,10-13,15H2,1H3,(H,28,33).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46364349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).