N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C18H22N6O3 — CID 70724429

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCc1cc(-c2ccco2)on1)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C18H22N6O3/c25-18(20-11-14-10-17(27-22-14)16-5-3-9-26-16)15-12-24(23-21-15)8-6-13-4-1-2-7-19-13/h3,5,9-10,12-13,19H,1-2,4,6-8,11H2,(H,20,25)
InChIKeyQUQGVLRMFYEAPS-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.99
Rot. Bonds7

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70724429) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70724429
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCc1cc(-c2ccco2)on1)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C18H22N6O3/c25-18(20-11-14-10-17(27-22-14)16-5-3-9-26-16)15-12-24(23-21-15)8-6-13-4-1-2-7-19-13/h3,5,9-10,12-13,19H,1-2,4,6-8,11H2,(H,20,25)
InChIKeyQUQGVLRMFYEAPS-UHFFFAOYSA-N
XLogP1.99
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide with MolForge

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559
1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 96582124
N-[3-chloro-4-(ethylcarbamoyl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide;hydrochloride
CID 154912901
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 131950023
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70744158
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70717153
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171708530
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
CID 45496871

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70724429) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is O=C(NCc1cc(-c2ccco2)on1)c1cn(CCC2CCCCN2)nn1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is QUQGVLRMFYEAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-18(20-11-14-10-17(27-22-14)16-5-3-9-26-16)15-12-24(23-21-15)8-6-13-4-1-2-7-19-13/h3,5,9-10,12-13,19H,1-2,4,6-8,11H2,(H,20,25).
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70724429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).