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

C19H20ClN5O3 — CID 20929267

IUPACN-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1
InChIInChI=1S/C19H20ClN5O3/c1-11-16-17(21-10-22-19(16)28-24-11)25-7-5-12(6-8-25)18(26)23-14-9-13(20)3-4-15(14)27-2/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,26)
InChIKeyHOZHLLLGISCJCU-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.44
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 20929267) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID20929267
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1
InChIInChI=1S/C19H20ClN5O3/c1-11-16-17(21-10-22-19(16)28-24-11)25-7-5-12(6-8-25)18(26)23-14-9-13(20)3-4-15(14)27-2/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,26)
InChIKeyHOZHLLLGISCJCU-UHFFFAOYSA-N
XLogP3.44
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929274
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223204
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289955
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
N-(2,4-dimethoxyphenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289909
(3R)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 92692388
(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92692710
N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848674
N-(2,5-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 20924807
4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198727

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 20929267) is N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is HOZHLLLGISCJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-11-16-17(21-10-22-19(16)28-24-11)25-7-5-12(6-8-25)18(26)23-14-9-13(20)3-4-15(14)27-2/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20929267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).