[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone

C17H22N4O4 — CID 125010537

IUPAC[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
SMILESCOCc1c(C(=O)N2CCOC[C@@H]2CCc2cnccn2)noc1C
InChIInChI=1S/C17H22N4O4/c1-12-15(11-23-2)16(20-25-12)17(22)21-7-8-24-10-14(21)4-3-13-9-18-5-6-19-13/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyVKBWCTIACFSRHE-AWEZNQCLSA-N
MW346.39 g/mol
LogP1.39
Rot. Bonds6

About [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone (PubChem CID 125010537) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
PubChem CID125010537
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
SMILESCOCc1c(C(=O)N2CCOC[C@@H]2CCc2cnccn2)noc1C
InChIInChI=1S/C17H22N4O4/c1-12-15(11-23-2)16(20-25-12)17(22)21-7-8-24-10-14(21)4-3-13-9-18-5-6-19-13/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyVKBWCTIACFSRHE-AWEZNQCLSA-N
XLogP1.39
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124947820
[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70708987
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110132170
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124995063
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 110132191
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 125018147
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 125021467
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124977212

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
The IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone (CID 125010537) is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone is COCc1c(C(=O)N2CCOC[C@@H]2CCc2cnccn2)noc1C.
What is the InChIKey of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
The InChIKey is VKBWCTIACFSRHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12-15(11-23-2)16(20-25-12)17(22)21-7-8-24-10-14(21)4-3-13-9-18-5-6-19-13/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 125010537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).