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

C16H23N5O3 — CID 138035355

IUPAC2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2nc(CN3CCCCC3)no2)o1
InChIInChI=1S/C16H23N5O3/c1-3-13-18-11(2)15(23-13)16(22)17-9-14-19-12(20-24-14)10-21-7-5-4-6-8-21/h3-10H2,1-2H3,(H,17,22)
InChIKeyCEOQYBNDOJGUFW-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.84
Rot. Bonds6

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

2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 138035355) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID138035355
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2nc(CN3CCCCC3)no2)o1
InChIInChI=1S/C16H23N5O3/c1-3-13-18-11(2)15(23-13)16(22)17-9-14-19-12(20-24-14)10-21-7-5-4-6-8-21/h3-10H2,1-2H3,(H,17,22)
InChIKeyCEOQYBNDOJGUFW-UHFFFAOYSA-N
XLogP1.84
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131931577
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927948
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744
2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 70766629
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 61357063
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63847714
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704414
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 130627522

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide (CID 138035355) is 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCc2nc(CN3CCCCC3)no2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is CEOQYBNDOJGUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-13-18-11(2)15(23-13)16(22)17-9-14-19-12(20-24-14)10-21-7-5-4-6-8-21/h3-10H2,1-2H3,(H,17,22).
What are the key properties of 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 138035355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).