N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C19H21N7O2S — CID 90520133

IUPACN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3onc4c3CSC4)CC2)ncn1
InChIInChI=1S/C19H21N7O2S/c1-12-20-4-7-26(12)17-8-16(21-11-22-17)25-5-2-13(3-6-25)18(27)23-19-14-9-29-10-15(14)24-28-19/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,23,27)
InChIKeyURIWZERGGJEDFF-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.56
Rot. Bonds4

About N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90520133) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90520133
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3onc4c3CSC4)CC2)ncn1
InChIInChI=1S/C19H21N7O2S/c1-12-20-4-7-26(12)17-8-16(21-11-22-17)25-5-2-13(3-6-25)18(27)23-19-14-9-29-10-15(14)24-28-19/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,23,27)
InChIKeyURIWZERGGJEDFF-UHFFFAOYSA-N
XLogP2.56
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-chlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520063
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514343
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
N-(2,4-dichlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520083
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 90520137
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519858
N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520131
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071795

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90520133) is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nccn1-c1cc(N2CCC(C(=O)Nc3onc4c3CSC4)CC2)ncn1.
What is the InChIKey of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is URIWZERGGJEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c1-12-20-4-7-26(12)17-8-16(21-11-22-17)25-5-2-13(3-6-25)18(27)23-19-14-9-29-10-15(14)24-28-19/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,23,27).
What are the key properties of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90520133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).