(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C16H25N3O5S — CID 131899711

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCCS(=O)(=O)N1CCOC2(CCN(C(=O)c3oc(C)nc3C)CC2)C1
InChIInChI=1S/C16H25N3O5S/c1-4-25(21,22)19-9-10-23-16(11-19)5-7-18(8-6-16)15(20)14-12(2)17-13(3)24-14/h4-11H2,1-3H3
InChIKeyWFSBLNAWRJNMJF-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.95
Rot. Bonds3

About (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 131899711) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID131899711
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCCS(=O)(=O)N1CCOC2(CCN(C(=O)c3oc(C)nc3C)CC2)C1
InChIInChI=1S/C16H25N3O5S/c1-4-25(21,22)19-9-10-23-16(11-19)5-7-18(8-6-16)15(20)14-12(2)17-13(3)24-14/h4-11H2,1-3H3
InChIKeyWFSBLNAWRJNMJF-UHFFFAOYSA-N
XLogP0.95
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 110684804
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 99608759
8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79164760
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154923232
1-[4-[(4-methylphenyl)methylsulfonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]prop-2-en-1-one
CID 172887780
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131897729
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 81484912
9-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131922228
1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131947966
(3-amino-1H-1,2,4-triazol-5-yl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 162631078
1-(4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-pyridin-3-ylethanone
CID 131911352
(5R)-9-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95726030

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 131899711) is (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is CCS(=O)(=O)N1CCOC2(CCN(C(=O)c3oc(C)nc3C)CC2)C1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is WFSBLNAWRJNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-4-25(21,22)19-9-10-23-16(11-19)5-7-18(8-6-16)15(20)14-12(2)17-13(3)24-14/h4-11H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 371.46 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 131899711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).