(1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

C17H26N2O2 — CID 124880699

IUPAC(1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESCc1noc(C)c1CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2
InChIInChI=1S/C17H26N2O2/c1-11-13(12(2)21-19-11)5-3-9-18-15-14-6-10-20-16(14)17(15)7-4-8-17/h14-16,18H,3-10H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyOQEPJQZUIAJTNH-BZUAXINKSA-N
MW290.41 g/mol
LogP2.77
Rot. Bonds5

About (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

(1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (PubChem CID 124880699) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.

Molecular Properties

Compound Name(1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
PubChem CID124880699
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESCc1noc(C)c1CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2
InChIInChI=1S/C17H26N2O2/c1-11-13(12(2)21-19-11)5-3-9-18-15-14-6-10-20-16(14)17(15)7-4-8-17/h14-16,18H,3-10H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyOQEPJQZUIAJTNH-BZUAXINKSA-N
XLogP2.77
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 79236773
N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776651
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 84597101
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxolan-3-yl)acetamide
CID 119071118
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine
CID 84593662
N'-[(2S)-butan-2-yl]-N'-methyl-N-[(1S,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]ethane-1,2-diamine
CID 97246962
N'-[(2S)-butan-2-yl]-N'-methyl-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]ethane-1,2-diamine
CID 124776737
N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 115727487
N-(3-methylcyclobutyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115906391
4-methoxy-N-[2-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]ethyl]benzamide
CID 124626976
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110646239

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The IUPAC name of (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (CID 124880699) is (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.
What is the SMILES notation for (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The canonical SMILES for (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is Cc1noc(C)c1CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2.
What is the InChIKey of (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The InChIKey is OQEPJQZUIAJTNH-BZUAXINKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-13(12(2)21-19-11)5-3-9-18-15-14-6-10-20-16(14)17(15)7-4-8-17/h14-16,18H,3-10H2,1-2H3/t14-,15-,16-/m1/s1.
What are the key properties of (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
(1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine has a molecular weight of 290.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is sourced from PubChem (CID 124880699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).