3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

C14H23N3O3 — CID 167416020

IUPAC3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCN(C)C(=O)NC(=O)C12CCCC1C(C(C)(C)C)=NO2
InChIInChI=1S/C14H23N3O3/c1-13(2,3)10-9-7-6-8-14(9,20-16-10)11(18)15-12(19)17(4)5/h9H,6-8H2,1-5H3,(H,15,18,19)
InChIKeyCKIZTTXTVIZOMC-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.76
Rot. Bonds1

About 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 167416020) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID167416020
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCN(C)C(=O)NC(=O)C12CCCC1C(C(C)(C)C)=NO2
InChIInChI=1S/C14H23N3O3/c1-13(2,3)10-9-7-6-8-14(9,20-16-10)11(18)15-12(19)17(4)5/h9H,6-8H2,1-5H3,(H,15,18,19)
InChIKeyCKIZTTXTVIZOMC-UHFFFAOYSA-N
XLogP1.76
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 167416020) is 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CN(C)C(=O)NC(=O)C12CCCC1C(C(C)(C)C)=NO2.
What is the InChIKey of 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is CKIZTTXTVIZOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2,3)10-9-7-6-8-14(9,20-16-10)11(18)15-12(19)17(4)5/h9H,6-8H2,1-5H3,(H,15,18,19).
What are the key properties of 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 167416020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).