(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide

C14H18N4O3S — CID 129476144

IUPAC(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC(C)c1nnc([C@@H]2CN(C(=O)Nc3ccsc3)CCO2)o1
InChIInChI=1S/C14H18N4O3S/c1-9(2)12-16-17-13(21-12)11-7-18(4-5-20-11)14(19)15-10-3-6-22-8-10/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyGUSVMOZKXITIRT-NSHDSACASA-N
MW322.39 g/mol
LogP2.86
Rot. Bonds3

About (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide

(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 129476144) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID129476144
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC(C)c1nnc([C@@H]2CN(C(=O)Nc3ccsc3)CCO2)o1
InChIInChI=1S/C14H18N4O3S/c1-9(2)12-16-17-13(21-12)11-7-18(4-5-20-11)14(19)15-10-3-6-22-8-10/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyGUSVMOZKXITIRT-NSHDSACASA-N
XLogP2.86
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129477357
N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 128992225
(2R)-N-(6-methoxy-3-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129340331
(2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129477494
(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129333071
2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile
CID 129004700
[(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326717
[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-quinolin-2-ylmethanone
CID 128969841
3-(5-methylfuran-2-yl)-1-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129328263
3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327171
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 128981499

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide (CID 129476144) is (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide is CC(C)c1nnc([C@@H]2CN(C(=O)Nc3ccsc3)CCO2)o1.
What is the InChIKey of (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is GUSVMOZKXITIRT-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(2)12-16-17-13(21-12)11-7-18(4-5-20-11)14(19)15-10-3-6-22-8-10/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,15,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide?
(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 129476144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).