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

C11H17N3O3 — CID 166662427

IUPACN-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC1=NOC2(C(=O)NC(=O)N(C)C)CCCC12
InChIInChI=1S/C11H17N3O3/c1-7-8-5-4-6-11(8,17-13-7)9(15)12-10(16)14(2)3/h8H,4-6H2,1-3H3,(H,12,15,16)
InChIKeyKWIKMYITRXZUEO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.73
Rot. Bonds1

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

N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 166662427) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID166662427
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC1=NOC2(C(=O)NC(=O)N(C)C)CCCC12
InChIInChI=1S/C11H17N3O3/c1-7-8-5-4-6-11(8,17-13-7)9(15)12-10(16)14(2)3/h8H,4-6H2,1-3H3,(H,12,15,16)
InChIKeyKWIKMYITRXZUEO-UHFFFAOYSA-N
XLogP0.73
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 166662427) is N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC1=NOC2(C(=O)NC(=O)N(C)C)CCCC12.
What is the InChIKey of N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is KWIKMYITRXZUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-8-5-4-6-11(8,17-13-7)9(15)12-10(16)14(2)3/h8H,4-6H2,1-3H3,(H,12,15,16).
What are the key properties of N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 166662427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).