2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

C18H23N3O3 — CID 97256182

IUPAC2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1C(=O)COc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-18(14(2)20(3)19-13)16-11-23-10-9-21(16)17(22)12-24-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyFLQOUTMKAZWNFC-MRXNPFEDSA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds4

About 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (PubChem CID 97256182) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
PubChem CID97256182
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1C(=O)COc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-18(14(2)20(3)19-13)16-11-23-10-9-21(16)17(22)12-24-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyFLQOUTMKAZWNFC-MRXNPFEDSA-N
XLogP2.02
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 75399303
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 155949674
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 120874001
2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
CID 97343069
2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 120552577
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 127734895
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 97342997
cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97256154
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (CID 97256182) is 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)COc1ccccc1.
What is the InChIKey of 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The InChIKey is FLQOUTMKAZWNFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-18(14(2)20(3)19-13)16-11-23-10-9-21(16)17(22)12-24-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97256182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).