N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide

C12H20N2O2 — CID 14688705

IUPACN-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@H]2C(C(C)(C)C)=NO[C@@H]12
InChIInChI=1S/C12H20N2O2/c1-7(15)13-9-6-5-8-10(9)16-14-11(8)12(2,3)4/h8-10H,5-6H2,1-4H3,(H,13,15)/t8-,9+,10-/m1/s1
InChIKeyLOGCJLMDMRHNKJ-KXUCPTDWSA-N
MW224.30 g/mol
LogP1.70
Rot. Bonds1

About N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide

N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide (PubChem CID 14688705) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide
PubChem CID14688705
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@H]2C(C(C)(C)C)=NO[C@@H]12
InChIInChI=1S/C12H20N2O2/c1-7(15)13-9-6-5-8-10(9)16-14-11(8)12(2,3)4/h8-10H,5-6H2,1-4H3,(H,13,15)/t8-,9+,10-/m1/s1
InChIKeyLOGCJLMDMRHNKJ-KXUCPTDWSA-N
XLogP1.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide?
The IUPAC name of N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide (CID 14688705) is N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide.
What is the SMILES notation for N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide?
The canonical SMILES for N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide is CC(=O)N[C@H]1CC[C@H]2C(C(C)(C)C)=NO[C@@H]12.
What is the InChIKey of N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide?
The InChIKey is LOGCJLMDMRHNKJ-KXUCPTDWSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(15)13-9-6-5-8-10(9)16-14-11(8)12(2,3)4/h8-10H,5-6H2,1-4H3,(H,13,15)/t8-,9+,10-/m1/s1.
What are the key properties of N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide?
N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide is sourced from PubChem (CID 14688705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).