(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

C16H23N5O2S — CID 97492303

IUPAC(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCO[C@]2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C16H23N5O2S/c1-12-14(13(2)23-19-12)8-20-6-7-22-16(9-20)4-3-5-21(10-16)15-18-17-11-24-15/h11H,3-10H2,1-2H3/t16-/m1/s1
InChIKeyAHLKBJUPPJLFJO-MRXNPFEDSA-N
MW349.46 g/mol
LogP2.01
Rot. Bonds3

About (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492303) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492303
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCO[C@]2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C16H23N5O2S/c1-12-14(13(2)23-19-12)8-20-6-7-22-16(9-20)4-3-5-21(10-16)15-18-17-11-24-15/h11H,3-10H2,1-2H3/t16-/m1/s1
InChIKeyAHLKBJUPPJLFJO-MRXNPFEDSA-N
XLogP2.01
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-(pyridin-4-ylmethyl)-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131654381
8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131645665
(6R)-8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492307
8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155855181
[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone
CID 131688809
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131685263
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131650043
(6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 155872120
pyridin-4-yl-[(6R)-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97492317
(3S,5R)-3-ethoxy-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 97489643
(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372480
4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 167813222

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492303) is (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1noc(C)c1CN1CCO[C@]2(CCCN(c3nncs3)C2)C1.
What is the InChIKey of (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is AHLKBJUPPJLFJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-14(13(2)23-19-12)8-20-6-7-22-16(9-20)4-3-5-21(10-16)15-18-17-11-24-15/h11H,3-10H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 349.46 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).