(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone

C15H22N2O3S — CID 131692295

IUPAC(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1onc(C)c1C(=O)N1CC2(CC(OC)CS2)C1
InChIInChI=1S/C15H22N2O3S/c1-4-5-12-13(10(2)16-20-12)14(18)17-8-15(9-17)6-11(19-3)7-21-15/h11H,4-9H2,1-3H3
InChIKeyZUTCBIWHEHHZGJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.28
Rot. Bonds4

About (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone

(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone (PubChem CID 131692295) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone
PubChem CID131692295
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1onc(C)c1C(=O)N1CC2(CC(OC)CS2)C1
InChIInChI=1S/C15H22N2O3S/c1-4-5-12-13(10(2)16-20-12)14(18)17-8-15(9-17)6-11(19-3)7-21-15/h11H,4-9H2,1-3H3
InChIKeyZUTCBIWHEHHZGJ-UHFFFAOYSA-N
XLogP2.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone (CID 131692295) is (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone is CCCc1onc(C)c1C(=O)N1CC2(CC(OC)CS2)C1.
What is the InChIKey of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone?
The InChIKey is ZUTCBIWHEHHZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-5-12-13(10(2)16-20-12)14(18)17-8-15(9-17)6-11(19-3)7-21-15/h11H,4-9H2,1-3H3.
What are the key properties of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone?
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 131692295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).