(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

C11H18N2O — CID 95004178

IUPAC(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCC(C)(C)[C@@H]1CCc2noc(N)c2C1
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9/h7H,4-6,12H2,1-3H3/t7-/m1/s1
InChIKeyOXADVZCRCFJAQP-SSDOTTSWSA-N
MW194.28 g/mol
LogP2.41
Rot. Bonds

About (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 95004178) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID95004178
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCC(C)(C)[C@@H]1CCc2noc(N)c2C1
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9/h7H,4-6,12H2,1-3H3/t7-/m1/s1
InChIKeyOXADVZCRCFJAQP-SSDOTTSWSA-N
XLogP2.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-amino-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl)phenyl]ethanone
CID 139771129
[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanamine
CID 96685182
5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine
CID 165476928
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049206
6-tert-butyl-2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 47003540
[4-(5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
CID 110233544
4-[4-[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-3-fluorobenzamide
CID 92552118
6-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771016
(6S)-6-tert-butyl-2-chloro-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
CID 26434353
(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanesulfonyl chloride
CID 165481106
15-tert-butyl-9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine
CID 5297170

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 95004178) is (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is CC(C)(C)[C@@H]1CCc2noc(N)c2C1.
What is the InChIKey of (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is OXADVZCRCFJAQP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9/h7H,4-6,12H2,1-3H3/t7-/m1/s1.
What are the key properties of (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 95004178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).