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

C17H27N3O3 — CID 91957981

IUPAC5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCCCC3)CCOCC2)no1
InChIInChI=1S/C17H27N3O3/c1-14-11-15(19-23-14)16(21)18-12-17(5-9-22-10-6-17)13-20-7-3-2-4-8-20/h11H,2-10,12-13H2,1H3,(H,18,21)
InChIKeyXJUQQKSQWSOFCI-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.00
Rot. Bonds5

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

5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91957981) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID91957981
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCCCC3)CCOCC2)no1
InChIInChI=1S/C17H27N3O3/c1-14-11-15(19-23-14)16(21)18-12-17(5-9-22-10-6-17)13-20-7-3-2-4-8-20/h11H,2-10,12-13H2,1H3,(H,18,21)
InChIKeyXJUQQKSQWSOFCI-UHFFFAOYSA-N
XLogP2.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 91957824
2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957707
N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91958049
5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide
CID 91957229
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide
CID 91957828

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 91957981) is 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2(CN3CCCCC3)CCOCC2)no1.
What is the InChIKey of 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XJUQQKSQWSOFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-14-11-15(19-23-14)16(21)18-12-17(5-9-22-10-6-17)13-20-7-3-2-4-8-20/h11H,2-10,12-13H2,1H3,(H,18,21).
What are the key properties of 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91957981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).