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

C20H22ClN5O3 — CID 20929274

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1
InChIInChI=1S/C20H22ClN5O3/c1-11-8-15(16(28-3)9-14(11)21)24-19(27)13-4-6-26(7-5-13)18-17-12(2)25-29-20(17)23-10-22-18/h8-10,13H,4-7H2,1-3H3,(H,24,27)
InChIKeyIAHMVCZUXLSRFR-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.75
Rot. Bonds4

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

N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 20929274) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID20929274
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1
InChIInChI=1S/C20H22ClN5O3/c1-11-8-15(16(28-3)9-14(11)21)24-19(27)13-4-6-26(7-5-13)18-17-12(2)25-29-20(17)23-10-22-18/h8-10,13H,4-7H2,1-3H3,(H,24,27)
InChIKeyIAHMVCZUXLSRFR-UHFFFAOYSA-N
XLogP3.75
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 20929274) is N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is IAHMVCZUXLSRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-11-8-15(16(28-3)9-14(11)21)24-19(27)13-4-6-26(7-5-13)18-17-12(2)25-29-20(17)23-10-22-18/h8-10,13H,4-7H2,1-3H3,(H,24,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20929274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).