[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C17H23N5O3 — CID 129473158

IUPAC[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)c2ccnc(N(C)C)c2)o1
InChIInChI=1S/C17H23N5O3/c1-11(2)15-19-20-16(25-15)13-10-24-8-7-22(13)17(23)12-5-6-18-14(9-12)21(3)4/h5-6,9,11,13H,7-8,10H2,1-4H3/t13-/m0/s1
InChIKeyQSOUXGXNKQGFGX-ZDUSSCGKSA-N
MW345.40 g/mol
LogP1.87
Rot. Bonds4

About [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129473158) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129473158
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)c2ccnc(N(C)C)c2)o1
InChIInChI=1S/C17H23N5O3/c1-11(2)15-19-20-16(25-15)13-10-24-8-7-22(13)17(23)12-5-6-18-14(9-12)21(3)4/h5-6,9,11,13H,7-8,10H2,1-4H3/t13-/m0/s1
InChIKeyQSOUXGXNKQGFGX-ZDUSSCGKSA-N
XLogP1.87
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129473158) is [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc([C@@H]2COCCN2C(=O)c2ccnc(N(C)C)c2)o1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is QSOUXGXNKQGFGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)15-19-20-16(25-15)13-10-24-8-7-22(13)17(23)12-5-6-18-14(9-12)21(3)4/h5-6,9,11,13H,7-8,10H2,1-4H3/t13-/m0/s1.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129473158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).