[4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone

C22H24FN5O3 — CID 125017848

IUPAC[4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCc1onc(C(=O)N2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)c1CN(C)C
InChIInChI=1S/C22H24FN5O3/c1-14-16(12-27(2)3)21(26-31-14)22(29)28-8-9-30-20(13-28)19-11-24-10-18(25-19)15-6-4-5-7-17(15)23/h4-7,10-11,20H,8-9,12-13H2,1-3H3/t20-/m0/s1
InChIKeyXKGOTSVGNNKLBZ-FQEVSTJZSA-N
MW425.46 g/mol
LogP2.85
Rot. Bonds5

About [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone

[4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone (PubChem CID 125017848) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone
PubChem CID125017848
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name[4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCc1onc(C(=O)N2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)c1CN(C)C
InChIInChI=1S/C22H24FN5O3/c1-14-16(12-27(2)3)21(26-31-14)22(29)28-8-9-30-20(13-28)19-11-24-10-18(25-19)15-6-4-5-7-17(15)23/h4-7,10-11,20H,8-9,12-13H2,1-3H3/t20-/m0/s1
InChIKeyXKGOTSVGNNKLBZ-FQEVSTJZSA-N
XLogP2.85
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone (CID 125017848) is [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone is Cc1onc(C(=O)N2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)c1CN(C)C.
What is the InChIKey of [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone?
The InChIKey is XKGOTSVGNNKLBZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14-16(12-27(2)3)21(26-31-14)22(29)28-8-9-30-20(13-28)19-11-24-10-18(25-19)15-6-4-5-7-17(15)23/h4-7,10-11,20H,8-9,12-13H2,1-3H3/t20-/m0/s1.
What are the key properties of [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone?
[4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone has a molecular weight of 425.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-5-methyl-1,2-oxazol-3-yl]-[(2S)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 125017848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).