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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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).