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

C10H17NO2 — CID 131133865

IUPAC(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol
SMILESCC(C)(C)C1=NO[C@H]2[C@@H](O)CC[C@@H]12
InChIInChI=1S/C10H17NO2/c1-10(2,3)9-6-4-5-7(12)8(6)13-11-9/h6-8,12H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKeyLTTRALMZUNRXFR-GJMOJQLCSA-N
MW183.25 g/mol
LogP1.56
Rot. Bonds

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

(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol (PubChem CID 131133865) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol.

Molecular Properties

Compound Name(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol
PubChem CID131133865
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol
SMILESCC(C)(C)C1=NO[C@H]2[C@@H](O)CC[C@@H]12
InChIInChI=1S/C10H17NO2/c1-10(2,3)9-6-4-5-7(12)8(6)13-11-9/h6-8,12H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKeyLTTRALMZUNRXFR-GJMOJQLCSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol with MolForge

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Related Compounds

N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]ethanethioamide
CID 14688711
N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide
CID 14688705
N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]-N-methylbenzamide
CID 14688646
(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
CID 11829468
3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole
CID 101055018
(3aR,7aR)-3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol
CID 22807145
8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol
CID 10848035
ethyl (4aS,8S,8aR)-8-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-1,2-benzoxazine-3-carboxylate
CID 102090055
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
2-(4-tert-butylphenyl)cyclopropan-1-ol
CID 142590960
(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985
(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
The IUPAC name of (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol (CID 131133865) is (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol.
What is the SMILES notation for (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
The canonical SMILES for (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol is CC(C)(C)C1=NO[C@H]2[C@@H](O)CC[C@@H]12.
What is the InChIKey of (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
The InChIKey is LTTRALMZUNRXFR-GJMOJQLCSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)9-6-4-5-7(12)8(6)13-11-9/h6-8,12H,4-5H2,1-3H3/t6-,7+,8-/m1/s1.
What are the key properties of (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol has a molecular weight of 183.25 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol is sourced from PubChem (CID 131133865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).