2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide

C15H26N4O2S — CID 71990183

IUPAC2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
SMILESCC(C)c1noc(CCNC(=O)N2CCSC(C(C)C)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-10(2)12-9-19(7-8-22-12)15(20)16-6-5-13-17-14(11(3)4)18-21-13/h10-12H,5-9H2,1-4H3,(H,16,20)
InChIKeyLQSMCPLRTUAMSP-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.52
Rot. Bonds5

About 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide

2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide (PubChem CID 71990183) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
PubChem CID71990183
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
SMILESCC(C)c1noc(CCNC(=O)N2CCSC(C(C)C)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-10(2)12-9-19(7-8-22-12)15(20)16-6-5-13-17-14(11(3)4)18-21-13/h10-12H,5-9H2,1-4H3,(H,16,20)
InChIKeyLQSMCPLRTUAMSP-UHFFFAOYSA-N
XLogP2.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide (CID 71990183) is 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide is CC(C)c1noc(CCNC(=O)N2CCSC(C(C)C)C2)n1.
What is the InChIKey of 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide?
The InChIKey is LQSMCPLRTUAMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-10(2)12-9-19(7-8-22-12)15(20)16-6-5-13-17-14(11(3)4)18-21-13/h10-12H,5-9H2,1-4H3,(H,16,20).
What are the key properties of 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide?
2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71990183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).