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

C22H27N5O3 — CID 92745889

IUPAC(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3onc(CC)c23)C1
InChIInChI=1S/C22H27N5O3/c1-3-17-19-20(24-14-25-22(19)30-26-17)27-11-7-9-16(13-27)21(28)23-12-15-8-5-6-10-18(15)29-4-2/h5-6,8,10,14,16H,3-4,7,9,11-13H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyAQDBBIXUMBMBAI-MRXNPFEDSA-N
MW409.49 g/mol
LogP3.11
Rot. Bonds7

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

(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92745889) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92745889
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3onc(CC)c23)C1
InChIInChI=1S/C22H27N5O3/c1-3-17-19-20(24-14-25-22(19)30-26-17)27-11-7-9-16(13-27)21(28)23-12-15-8-5-6-10-18(15)29-4-2/h5-6,8,10,14,16H,3-4,7,9,11-13H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyAQDBBIXUMBMBAI-MRXNPFEDSA-N
XLogP3.11
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745835
N-[(2-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282615
(3S)-N-benzyl-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745850
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 92745861
N-[2-(2-chlorophenyl)ethyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282643
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92745865
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 92723545
(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745855
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92745897
N-[(2-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
CID 20912267
1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 46282638
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92745889) is (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3onc(CC)c23)C1.
What is the InChIKey of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is AQDBBIXUMBMBAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-3-17-19-20(24-14-25-22(19)30-26-17)27-11-7-9-16(13-27)21(28)23-12-15-8-5-6-10-18(15)29-4-2/h5-6,8,10,14,16H,3-4,7,9,11-13H2,1-2H3,(H,23,28)/t16-/m1/s1.
What are the key properties of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92745889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).