N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H21N3O3 — CID 131910543

IUPACN-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(Cc3ccoc3)CC2)no1
InChIInChI=1S/C16H21N3O3/c1-12-8-15(18-22-12)16(20)17-9-13-2-5-19(6-3-13)10-14-4-7-21-11-14/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,17,20)
InChIKeyBUSRGKSTYODLGQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.22
Rot. Bonds5

About N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 131910543) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID131910543
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(Cc3ccoc3)CC2)no1
InChIInChI=1S/C16H21N3O3/c1-12-8-15(18-22-12)16(20)17-9-13-2-5-19(6-3-13)10-14-4-7-21-11-14/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,17,20)
InChIKeyBUSRGKSTYODLGQ-UHFFFAOYSA-N
XLogP2.22
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 119041616
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
5-methyl-N-[[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131917051
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
CID 131900099
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2812630
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45170548
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 131898832
N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 95197349
3-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 99827620
4-[[4-[[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 169080353

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 131910543) is N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2CCN(Cc3ccoc3)CC2)no1.
What is the InChIKey of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BUSRGKSTYODLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-8-15(18-22-12)16(20)17-9-13-2-5-19(6-3-13)10-14-4-7-21-11-14/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,17,20).
What are the key properties of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131910543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).