4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine

C16H17N5O2S — CID 146138426

IUPAC4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESCc1cncc(-c2nc(CN3CCOC(c4nccs4)C3)no2)c1
InChIInChI=1S/C16H17N5O2S/c1-11-6-12(8-17-7-11)15-19-14(20-23-15)10-21-3-4-22-13(9-21)16-18-2-5-24-16/h2,5-8,13H,3-4,9-10H2,1H3
InChIKeyFFCHSMVRRLEMHL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.47
Rot. Bonds4

About 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine

4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 146138426) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine
PubChem CID146138426
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESCc1cncc(-c2nc(CN3CCOC(c4nccs4)C3)no2)c1
InChIInChI=1S/C16H17N5O2S/c1-11-6-12(8-17-7-11)15-19-14(20-23-15)10-21-3-4-22-13(9-21)16-18-2-5-24-16/h2,5-8,13H,3-4,9-10H2,1H3
InChIKeyFFCHSMVRRLEMHL-UHFFFAOYSA-N
XLogP2.47
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine with MolForge

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Related Compounds

(2S)-4-[(5-methylpyrazin-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156937
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CID 86775020
(2R)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156923
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975
1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one
CID 124619007
N-methyl-N-propan-2-yl-5-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]pyridin-2-amine
CID 124739186
6-chloro-2-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 136801819
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 110115917
(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine
CID 97327976
(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine (CID 146138426) is 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine is Cc1cncc(-c2nc(CN3CCOC(c4nccs4)C3)no2)c1.
What is the InChIKey of 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is FFCHSMVRRLEMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-11-6-12(8-17-7-11)15-19-14(20-23-15)10-21-3-4-22-13(9-21)16-18-2-5-24-16/h2,5-8,13H,3-4,9-10H2,1H3.
What are the key properties of 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine?
4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 343.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 146138426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).