(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

C15H22N4O2S — CID 97320286

IUPAC(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@H]2CN(Cc3nc(C(C)(C)C)cs3)CCO2)no1
InChIInChI=1S/C15H22N4O2S/c1-10-16-14(18-21-10)11-7-19(5-6-20-11)8-13-17-12(9-22-13)15(2,3)4/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyWSWGCLZCMFWVAX-LLVKDONJSA-N
MW322.43 g/mol
LogP2.71
Rot. Bonds3

About (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97320286) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97320286
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@H]2CN(Cc3nc(C(C)(C)C)cs3)CCO2)no1
InChIInChI=1S/C15H22N4O2S/c1-10-16-14(18-21-10)11-7-19(5-6-20-11)8-13-17-12(9-22-13)15(2,3)4/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyWSWGCLZCMFWVAX-LLVKDONJSA-N
XLogP2.71
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 97320286) is (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is Cc1nc([C@H]2CN(Cc3nc(C(C)(C)C)cs3)CCO2)no1.
What is the InChIKey of (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is WSWGCLZCMFWVAX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10-16-14(18-21-10)11-7-19(5-6-20-11)8-13-17-12(9-22-13)15(2,3)4/h9,11H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 322.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97320286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).