[2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine

C23H27N3O2 — CID 167844251

IUPAC[2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine
SMILESNCC1CN(Cc2cc(-c3ccc4ccccc4c3)on2)CC12CCOCC2
InChIInChI=1S/C23H27N3O2/c24-13-20-14-26(16-23(20)7-9-27-10-8-23)15-21-12-22(28-25-21)19-6-5-17-3-1-2-4-18(17)11-19/h1-6,11-12,20H,7-10,13-16,24H2
InChIKeyNHJCRWZQLNWJQS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.68
Rot. Bonds4

About [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine

[2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine (PubChem CID 167844251) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine
PubChem CID167844251
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine
SMILESNCC1CN(Cc2cc(-c3ccc4ccccc4c3)on2)CC12CCOCC2
InChIInChI=1S/C23H27N3O2/c24-13-20-14-26(16-23(20)7-9-27-10-8-23)15-21-12-22(28-25-21)19-6-5-17-3-1-2-4-18(17)11-19/h1-6,11-12,20H,7-10,13-16,24H2
InChIKeyNHJCRWZQLNWJQS-UHFFFAOYSA-N
XLogP3.68
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine?
The IUPAC name of [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine (CID 167844251) is [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine.
What is the SMILES notation for [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine?
The canonical SMILES for [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine is NCC1CN(Cc2cc(-c3ccc4ccccc4c3)on2)CC12CCOCC2.
What is the InChIKey of [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine?
The InChIKey is NHJCRWZQLNWJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c24-13-20-14-26(16-23(20)7-9-27-10-8-23)15-21-12-22(28-25-21)19-6-5-17-3-1-2-4-18(17)11-19/h1-6,11-12,20H,7-10,13-16,24H2.
What are the key properties of [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine?
[2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine has a molecular weight of 377.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine is sourced from PubChem (CID 167844251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).