[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone

C21H23N3O3S — CID 110129715

IUPAC[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
SMILESCCc1onc(C)c1-c1cccc(C2CN(C(=O)c3cc(C)cs3)CCO2)n1
InChIInChI=1S/C21H23N3O3S/c1-4-17-20(14(3)23-27-17)16-7-5-6-15(22-16)18-11-24(8-9-26-18)21(25)19-10-13(2)12-28-19/h5-7,10,12,18H,4,8-9,11H2,1-3H3
InChIKeyJTRAPEGBPFRTMK-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.19
Rot. Bonds4

About [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone

[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 110129715) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID110129715
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
SMILESCCc1onc(C)c1-c1cccc(C2CN(C(=O)c3cc(C)cs3)CCO2)n1
InChIInChI=1S/C21H23N3O3S/c1-4-17-20(14(3)23-27-17)16-7-5-6-15(22-16)18-11-24(8-9-26-18)21(25)19-10-13(2)12-28-19/h5-7,10,12,18H,4,8-9,11H2,1-3H3
InChIKeyJTRAPEGBPFRTMK-UHFFFAOYSA-N
XLogP4.19
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 110135847
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110135980
[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
CID 124995778
[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124940575
1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 125018833
cyclopentyl-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124961928
2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 124977128
3-amino-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125024807
2-ethyl-1-[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 124977127
(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 125025894
N-[2-[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110135949
(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine
CID 125013111

Frequently Asked Questions

What is the IUPAC name of [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone (CID 110129715) is [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone is CCc1onc(C)c1-c1cccc(C2CN(C(=O)c3cc(C)cs3)CCO2)n1.
What is the InChIKey of [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is JTRAPEGBPFRTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-17-20(14(3)23-27-17)16-7-5-6-15(22-16)18-11-24(8-9-26-18)21(25)19-10-13(2)12-28-19/h5-7,10,12,18H,4,8-9,11H2,1-3H3.
What are the key properties of [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 397.50 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 110129715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).