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

C20H22ClN5O2 — CID 92745855

IUPAC(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1noc2ncnc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c12
InChIInChI=1S/C20H22ClN5O2/c1-2-16-17-18(23-12-24-20(17)28-25-16)26-9-3-4-14(11-26)19(27)22-10-13-5-7-15(21)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyRWFYKJCSYSJUAC-CQSZACIVSA-N
MW399.88 g/mol
LogP3.37
Rot. Bonds5

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

(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92745855) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92745855
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1noc2ncnc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c12
InChIInChI=1S/C20H22ClN5O2/c1-2-16-17-18(23-12-24-20(17)28-25-16)26-9-3-4-14(11-26)19(27)22-10-13-5-7-15(21)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyRWFYKJCSYSJUAC-CQSZACIVSA-N
XLogP3.37
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(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
(3S)-N-benzyl-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745850
(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745801
(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-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282615
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185
1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 46282638
N-[2-(2-chlorophenyl)ethyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282643
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745889
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 92745861
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 46290089

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92745855) is (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1noc2ncnc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c12.
What is the InChIKey of (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is RWFYKJCSYSJUAC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-2-16-17-18(23-12-24-20(17)28-25-16)26-9-3-4-14(11-26)19(27)22-10-13-5-7-15(21)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,22,27)/t14-/m1/s1.
What are the key properties of (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92745855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).