N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C16H26N4O3 — CID 71806280

IUPACN-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H26N4O3/c1-11-13(10-18-23-11)14(21)17-9-12-5-7-20(8-6-12)15(22)19-16(2,3)4/h10,12H,5-9H2,1-4H3,(H,17,21)(H,19,22)
InChIKeyUZIFBIKEZMIDDQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.93
Rot. Bonds3

About N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71806280) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71806280
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H26N4O3/c1-11-13(10-18-23-11)14(21)17-9-12-5-7-20(8-6-12)15(22)19-16(2,3)4/h10,12H,5-9H2,1-4H3,(H,17,21)(H,19,22)
InChIKeyUZIFBIKEZMIDDQ-UHFFFAOYSA-N
XLogP1.93
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71806280) is N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UZIFBIKEZMIDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11-13(10-18-23-11)14(21)17-9-12-5-7-20(8-6-12)15(22)19-16(2,3)4/h10,12H,5-9H2,1-4H3,(H,17,21)(H,19,22).
What are the key properties of N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71806280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).