(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

C15H20N4O3S — CID 129477357

IUPAC(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1cscc1NC(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1
InChIInChI=1S/C15H20N4O3S/c1-9(2)13-17-18-14(22-13)12-6-19(4-5-21-12)15(20)16-11-8-23-7-10(11)3/h7-9,12H,4-6H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyLXHDZOWUJMPOMH-GFCCVEGCSA-N
MW336.42 g/mol
LogP3.17
Rot. Bonds3

About (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (PubChem CID 129477357) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
PubChem CID129477357
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1cscc1NC(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1
InChIInChI=1S/C15H20N4O3S/c1-9(2)13-17-18-14(22-13)12-6-19(4-5-21-12)15(20)16-11-8-23-7-10(11)3/h7-9,12H,4-6H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyLXHDZOWUJMPOMH-GFCCVEGCSA-N
XLogP3.17
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (CID 129477357) is (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is Cc1cscc1NC(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1.
What is the InChIKey of (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is LXHDZOWUJMPOMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9(2)13-17-18-14(22-13)12-6-19(4-5-21-12)15(20)16-11-8-23-7-10(11)3/h7-9,12H,4-6H2,1-3H3,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129477357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).