(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

C16H21N5O3 — CID 129333071

IUPAC(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1ccnc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1
InChIInChI=1S/C16H21N5O3/c1-10(2)14-19-20-15(24-14)12-9-21(6-7-23-12)16(22)18-13-8-11(3)4-5-17-13/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,17,18,22)/t12-/m0/s1
InChIKeyLSHYJURUEDRVSL-LBPRGKRZSA-N
MW331.38 g/mol
LogP2.50
Rot. Bonds3

About (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (PubChem CID 129333071) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
PubChem CID129333071
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1ccnc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1
InChIInChI=1S/C16H21N5O3/c1-10(2)14-19-20-15(24-14)12-9-21(6-7-23-12)16(22)18-13-8-11(3)4-5-17-13/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,17,18,22)/t12-/m0/s1
InChIKeyLSHYJURUEDRVSL-LBPRGKRZSA-N
XLogP2.50
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.50
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
(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 129476144
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
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473192
(5-ethyl-3-methylfuran-2-yl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326599
(2-methoxy-3-pyridinyl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472499
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
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-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)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (CID 129333071) is (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is Cc1ccnc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1.
What is the InChIKey of (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is LSHYJURUEDRVSL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(2)14-19-20-15(24-14)12-9-21(6-7-23-12)16(22)18-13-8-11(3)4-5-17-13/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,17,18,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129333071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).