2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine

C17H23N3O — CID 79882584

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(N3CCC4(CCCCC4)CC3)oc2c1
InChIInChI=1S/C17H23N3O/c18-13-4-5-14-15(12-13)21-16(19-14)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11,18H2
InChIKeyDYEZJBSWQKSNMJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.96
Rot. Bonds1

About 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine

2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine (PubChem CID 79882584) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
PubChem CID79882584
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(N3CCC4(CCCCC4)CC3)oc2c1
InChIInChI=1S/C17H23N3O/c18-13-4-5-14-15(12-13)21-16(19-14)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11,18H2
InChIKeyDYEZJBSWQKSNMJ-UHFFFAOYSA-N
XLogP3.96
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 79890926
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
CID 79893228
2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
CID 79893232
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
CID 79881637
2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959976
4-(3-azaspiro[5.5]undecan-3-yl)-3-chloroaniline
CID 55133879
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine
CID 79882824

Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine (CID 79882584) is 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine is Nc1ccc2nc(N3CCC4(CCCCC4)CC3)oc2c1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine?
The InChIKey is DYEZJBSWQKSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-13-4-5-14-15(12-13)21-16(19-14)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11,18H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine?
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine has a molecular weight of 285.39 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79882584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).