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

C25H24FN5O3 — CID 46364342

IUPAC1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1
InChIInChI=1S/C25H24FN5O3/c1-33-20-8-3-2-5-18(20)14-27-24(32)16-9-11-31(12-10-16)23-21-22(17-6-4-7-19(26)13-17)30-34-25(21)29-15-28-23/h2-8,13,15-16H,9-12,14H2,1H3,(H,27,32)
InChIKeyONMBBXRSCRNNPE-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.97
Rot. Bonds6

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

1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46364342) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46364342
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1
InChIInChI=1S/C25H24FN5O3/c1-33-20-8-3-2-5-18(20)14-27-24(32)16-9-11-31(12-10-16)23-21-22(17-6-4-7-19(26)13-17)30-34-25(21)29-15-28-23/h2-8,13,15-16H,9-12,14H2,1H3,(H,27,32)
InChIKeyONMBBXRSCRNNPE-UHFFFAOYSA-N
XLogP3.97
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364349
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
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46364219
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-methoxyphenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53365247
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92877385
N-[(2,4-dimethoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107928
N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364269
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 46364342) is 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ONMBBXRSCRNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-33-20-8-3-2-5-18(20)14-27-24(32)16-9-11-31(12-10-16)23-21-22(17-6-4-7-19(26)13-17)30-34-25(21)29-15-28-23/h2-8,13,15-16H,9-12,14H2,1H3,(H,27,32).
What are the key properties of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46364342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).