N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C15H19N3O2S — CID 131898411

IUPACN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccsc2)CC1)c1ccon1
InChIInChI=1S/C15H19N3O2S/c19-15(14-3-7-20-17-14)16-9-12-1-5-18(6-2-12)10-13-4-8-21-11-13/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,16,19)
InChIKeyDMSJKXUXKSHAOX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds5

About N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 131898411) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID131898411
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccsc2)CC1)c1ccon1
InChIInChI=1S/C15H19N3O2S/c19-15(14-3-7-20-17-14)16-9-12-1-5-18(6-2-12)10-13-4-8-21-11-13/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,16,19)
InChIKeyDMSJKXUXKSHAOX-UHFFFAOYSA-N
XLogP2.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131894249
1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131933273
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71961623
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131933136
formic acid;N-[[1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 154913189
N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 56738478

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 131898411) is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCN(Cc2ccsc2)CC1)c1ccon1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DMSJKXUXKSHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-15(14-3-7-20-17-14)16-9-12-1-5-18(6-2-12)10-13-4-8-21-11-13/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,16,19).
What are the key properties of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131898411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).