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

C24H32N6O3 — CID 46364269

IUPACN-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2ncnc3onc(-c4ccc(OC)cc4)c23)CC1
InChIInChI=1S/C24H32N6O3/c1-4-29(5-2)15-12-25-23(31)18-10-13-30(14-11-18)22-20-21(28-33-24(20)27-16-26-22)17-6-8-19(32-3)9-7-17/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,25,31)
InChIKeySMTIWMLSJFNLQE-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.97
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 46364269) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID46364269
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC NameN-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2ncnc3onc(-c4ccc(OC)cc4)c23)CC1
InChIInChI=1S/C24H32N6O3/c1-4-29(5-2)15-12-25-23(31)18-10-13-30(14-11-18)22-20-21(28-33-24(20)27-16-26-22)17-6-8-19(32-3)9-7-17/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,25,31)
InChIKeySMTIWMLSJFNLQE-UHFFFAOYSA-N
XLogP2.97
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-(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
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364310
N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46282532
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
ethyl 1-[1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 46364284
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46364342
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 46364269) is N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2ncnc3onc(-c4ccc(OC)cc4)c23)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is SMTIWMLSJFNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-4-29(5-2)15-12-25-23(31)18-10-13-30(14-11-18)22-20-21(28-33-24(20)27-16-26-22)17-6-8-19(32-3)9-7-17/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46364269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).