2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine

C17H23N3O — CID 79959976

IUPAC2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CN3CCC4(CCCC4)CC3)nc2c1
InChIInChI=1S/C17H23N3O/c18-13-3-4-15-14(11-13)19-16(21-15)12-20-9-7-17(8-10-20)5-1-2-6-17/h3-4,11H,1-2,5-10,12,18H2
InChIKeyFIXPCMWLOFORJR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.57
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine

2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 79959976) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID79959976
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CN3CCC4(CCCC4)CC3)nc2c1
InChIInChI=1S/C17H23N3O/c18-13-3-4-15-14(11-13)19-16(21-15)12-20-9-7-17(8-10-20)5-1-2-6-17/h3-4,11H,1-2,5-10,12,18H2
InChIKeyFIXPCMWLOFORJR-UHFFFAOYSA-N
XLogP3.57
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.57
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-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79959773
2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 79964992
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 115558977
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 114462412
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79964226
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959759
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959744
2-(8-azaspiro[4.5]decan-8-ylmethyl)pyridin-4-amine
CID 79251942
2-N-(1-methylcyclopentyl)-1,3-benzoxazole-2,5-diamine
CID 79890493
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
2-[(3-methylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79973306

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine (CID 79959976) is 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(CN3CCC4(CCCC4)CC3)nc2c1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is FIXPCMWLOFORJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-13-3-4-15-14(11-13)19-16(21-15)12-20-9-7-17(8-10-20)5-1-2-6-17/h3-4,11H,1-2,5-10,12,18H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine?
2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 285.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79959976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).