[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C15H23N3O4S — CID 3863866

IUPAC[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCSCCC(N)c1nc(C(=O)N2CCC3(CC2)OCCO3)co1
InChIInChI=1S/C15H23N3O4S/c1-23-9-2-11(16)13-17-12(10-20-13)14(19)18-5-3-15(4-6-18)21-7-8-22-15/h10-11H,2-9,16H2,1H3
InChIKeyIJCZNFBDVONJDY-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.41
Rot. Bonds5

About [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 3863866) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID3863866
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCSCCC(N)c1nc(C(=O)N2CCC3(CC2)OCCO3)co1
InChIInChI=1S/C15H23N3O4S/c1-23-9-2-11(16)13-17-12(10-20-13)14(19)18-5-3-15(4-6-18)21-7-8-22-15/h10-11H,2-9,16H2,1H3
InChIKeyIJCZNFBDVONJDY-UHFFFAOYSA-N
XLogP1.41
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 3813371
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 3435157
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazol-4-yl]methanone
CID 4041630
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 3853952
2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
CID 3674792
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazol-4-yl]methanone
CID 1200723
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 3863866) is [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CSCCC(N)c1nc(C(=O)N2CCC3(CC2)OCCO3)co1.
What is the InChIKey of [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is IJCZNFBDVONJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-23-9-2-11(16)13-17-12(10-20-13)14(19)18-5-3-15(4-6-18)21-7-8-22-15/h10-11H,2-9,16H2,1H3.
What are the key properties of [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 3863866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).