9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

C18H25N5O2 — CID 134071325

IUPAC9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCc1noc(C)c1CN1CCCC2(CC(Nc3cnccn3)CO2)C1
InChIInChI=1S/C18H25N5O2/c1-13-16(14(2)25-22-13)10-23-7-3-4-18(12-23)8-15(11-24-18)21-17-9-19-5-6-20-17/h5-6,9,15H,3-4,7-8,10-12H2,1-2H3,(H,20,21)
InChIKeyRKIOLWGUISBKAG-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.32
Rot. Bonds4

About 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 134071325) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
PubChem CID134071325
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCc1noc(C)c1CN1CCCC2(CC(Nc3cnccn3)CO2)C1
InChIInChI=1S/C18H25N5O2/c1-13-16(14(2)25-22-13)10-23-7-3-4-18(12-23)8-15(11-24-18)21-17-9-19-5-6-20-17/h5-6,9,15H,3-4,7-8,10-12H2,1-2H3,(H,20,21)
InChIKeyRKIOLWGUISBKAG-UHFFFAOYSA-N
XLogP2.32
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124520719
(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124521928
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520594
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98813283
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688428
(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520565
(3-methylcyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688422
9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155869467
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
(3R,5R)-9-[(1-methylpyrazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98813637

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The IUPAC name of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 134071325) is 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is Cc1noc(C)c1CN1CCCC2(CC(Nc3cnccn3)CO2)C1.
What is the InChIKey of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The InChIKey is RKIOLWGUISBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-16(14(2)25-22-13)10-23-7-3-4-18(12-23)8-15(11-24-18)21-17-9-19-5-6-20-17/h5-6,9,15H,3-4,7-8,10-12H2,1-2H3,(H,20,21).
What are the key properties of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 343.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 134071325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).