(5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine

C12H20N2O — CID 146510485

IUPAC(5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine
SMILESCC(C)C1(C(C)C)c2cnoc2C[C@H]1N
InChIInChI=1S/C12H20N2O/c1-7(2)12(8(3)4)9-6-14-15-10(9)5-11(12)13/h6-8,11H,5,13H2,1-4H3/t11-/m1/s1
InChIKeyTZDGXXCULOSWNZ-LLVKDONJSA-N
MW208.30 g/mol
LogP2.11
Rot. Bonds2

About (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine

(5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine (PubChem CID 146510485) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine.

Molecular Properties

Compound Name(5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine
PubChem CID146510485
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine
SMILESCC(C)C1(C(C)C)c2cnoc2C[C@H]1N
InChIInChI=1S/C12H20N2O/c1-7(2)12(8(3)4)9-6-14-15-10(9)5-11(12)13/h6-8,11H,5,13H2,1-4H3/t11-/m1/s1
InChIKeyTZDGXXCULOSWNZ-LLVKDONJSA-N
XLogP2.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine?
The IUPAC name of (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine (CID 146510485) is (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine.
What is the SMILES notation for (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine?
The canonical SMILES for (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine is CC(C)C1(C(C)C)c2cnoc2C[C@H]1N.
What is the InChIKey of (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine?
The InChIKey is TZDGXXCULOSWNZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O/c1-7(2)12(8(3)4)9-6-14-15-10(9)5-11(12)13/h6-8,11H,5,13H2,1-4H3/t11-/m1/s1.
What are the key properties of (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine?
(5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine has a molecular weight of 208.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,4-di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,2]oxazol-5-amine is sourced from PubChem (CID 146510485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).