3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine

C15H18N6O2S — CID 167973673

IUPAC3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3CCc3ccns3)no2)cn1
InChIInChI=1S/C15H18N6O2S/c1-20-9-11(8-16-20)15-18-14(19-23-15)13-10-22-7-6-21(13)5-3-12-2-4-17-24-12/h2,4,8-9,13H,3,5-7,10H2,1H3
InChIKeyRMRMIFYVUFVHCM-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.54
Rot. Bonds5

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

3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine (PubChem CID 167973673) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
PubChem CID167973673
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3CCc3ccns3)no2)cn1
InChIInChI=1S/C15H18N6O2S/c1-20-9-11(8-16-20)15-18-14(19-23-15)13-10-22-7-6-21(13)5-3-12-2-4-17-24-12/h2,4,8-9,13H,3,5-7,10H2,1H3
InChIKeyRMRMIFYVUFVHCM-UHFFFAOYSA-N
XLogP1.54
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
CID 154743242
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345982
(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97345900
3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
CID 167840558
(3R)-4-(2-methoxyethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344632
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
(3R)-4-(4-ethylphenyl)sulfonyl-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345908
(3R)-4-(cyclohexylmethylsulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345911
(3,5-dichlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 75475248
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)morpholine
CID 97344608
(E)-3-(2,6-difluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 75475246
3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126779690

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
The IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine (CID 167973673) is 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
The canonical SMILES for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine is Cn1cc(-c2nc(C3COCCN3CCc3ccns3)no2)cn1.
What is the InChIKey of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
The InChIKey is RMRMIFYVUFVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-20-9-11(8-16-20)15-18-14(19-23-15)13-10-22-7-6-21(13)5-3-12-2-4-17-24-12/h2,4,8-9,13H,3,5-7,10H2,1H3.
What are the key properties of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine has a molecular weight of 346.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 167973673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).