(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine

C20H23N3O2 — CID 127032086

IUPAC(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
SMILESCn1ncc2cc(CN3CCO[C@H](COc4ccccc4)C3)ccc21
InChIInChI=1S/C20H23N3O2/c1-22-20-8-7-16(11-17(20)12-21-22)13-23-9-10-24-19(14-23)15-25-18-5-3-2-4-6-18/h2-8,11-12,19H,9-10,13-15H2,1H3/t19-/m0/s1
InChIKeyVTMIVVXVKRPSGZ-IBGZPJMESA-N
MW337.42 g/mol
LogP2.85
Rot. Bonds5

About (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine

(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine (PubChem CID 127032086) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
PubChem CID127032086
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
SMILESCn1ncc2cc(CN3CCO[C@H](COc4ccccc4)C3)ccc21
InChIInChI=1S/C20H23N3O2/c1-22-20-8-7-16(11-17(20)12-21-22)13-23-9-10-24-19(14-23)15-25-18-5-3-2-4-6-18/h2-8,11-12,19H,9-10,13-15H2,1H3/t19-/m0/s1
InChIKeyVTMIVVXVKRPSGZ-IBGZPJMESA-N
XLogP2.85
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine (CID 127032086) is (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine is Cn1ncc2cc(CN3CCO[C@H](COc4ccccc4)C3)ccc21.
What is the InChIKey of (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine?
The InChIKey is VTMIVVXVKRPSGZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-20-8-7-16(11-17(20)12-21-22)13-23-9-10-24-19(14-23)15-25-18-5-3-2-4-6-18/h2-8,11-12,19H,9-10,13-15H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine has a molecular weight of 337.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127032086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).