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

C23H27N5O4 — CID 92877385

IUPAC1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC[C@H]5CCCO5)CC4)c23)cc1
InChIInChI=1S/C23H27N5O4/c1-30-17-6-4-15(5-7-17)20-19-21(25-14-26-23(19)32-27-20)28-10-8-16(9-11-28)22(29)24-13-18-3-2-12-31-18/h4-7,14,16,18H,2-3,8-13H2,1H3,(H,24,29)/t18-/m1/s1
InChIKeyWFGZJISKWTVNCN-GOSISDBHSA-N
MW437.50 g/mol
LogP2.81
Rot. Bonds6

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

1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 92877385) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID92877385
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC[C@H]5CCCO5)CC4)c23)cc1
InChIInChI=1S/C23H27N5O4/c1-30-17-6-4-15(5-7-17)20-19-21(25-14-26-23(19)32-27-20)28-10-8-16(9-11-28)22(29)24-13-18-3-2-12-31-18/h4-7,14,16,18H,2-3,8-13H2,1H3,(H,24,29)/t18-/m1/s1
InChIKeyWFGZJISKWTVNCN-GOSISDBHSA-N
XLogP2.81
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364269
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 92877394
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-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364297
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53166965
ethyl 1-[1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 46364284
N-[2-(4-chlorophenyl)ethyl]-1-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364227
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46364341
1-[6-(4-methylanilino)pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95101963
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 43930797
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 92877385) is 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC[C@H]5CCCO5)CC4)c23)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is WFGZJISKWTVNCN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-30-17-6-4-15(5-7-17)20-19-21(25-14-26-23(19)32-27-20)28-10-8-16(9-11-28)22(29)24-13-18-3-2-12-31-18/h4-7,14,16,18H,2-3,8-13H2,1H3,(H,24,29)/t18-/m1/s1.
What are the key properties of 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92877385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).