4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide

C22H22N6O2S — CID 127047499

IUPAC4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C22H22N6O2S/c29-22(25-20-7-4-10-23-26-20)28-11-8-16(9-12-28)21-24-18(14-31-21)17-13-19(30-27-17)15-5-2-1-3-6-15/h1-7,10,14,16,19H,8-9,11-13H2,(H,25,26,29)
InChIKeySCBOCDMAERDDEZ-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.21
Rot. Bonds4

About 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide

4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 127047499) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID127047499
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C22H22N6O2S/c29-22(25-20-7-4-10-23-26-20)28-11-8-16(9-12-28)21-24-18(14-31-21)17-13-19(30-27-17)15-5-2-1-3-6-15/h1-7,10,14,16,19H,8-9,11-13H2,(H,25,26,29)
InChIKeySCBOCDMAERDDEZ-UHFFFAOYSA-N
XLogP4.21
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 127047499) is 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnn1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1.
What is the InChIKey of 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is SCBOCDMAERDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c29-22(25-20-7-4-10-23-26-20)28-11-8-16(9-12-28)21-24-18(14-31-21)17-13-19(30-27-17)15-5-2-1-3-6-15/h1-7,10,14,16,19H,8-9,11-13H2,(H,25,26,29).
What are the key properties of 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 127047499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).