(2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine

C19H21N3O2 — CID 127032083

IUPAC(2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3[nH]nc4ccccc34)CCO2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-15(7-3-1)24-14-16-12-22(10-11-23-16)13-19-17-8-4-5-9-18(17)20-21-19/h1-9,16H,10-14H2,(H,20,21)/t16-/m0/s1
InChIKeyJOEVLLWWSOHRQB-INIZCTEOSA-N
MW323.40 g/mol
LogP2.84
Rot. Bonds5

About (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine

(2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine (PubChem CID 127032083) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine
PubChem CID127032083
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3[nH]nc4ccccc34)CCO2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-15(7-3-1)24-14-16-12-22(10-11-23-16)13-19-17-8-4-5-9-18(17)20-21-19/h1-9,16H,10-14H2,(H,20,21)/t16-/m0/s1
InChIKeyJOEVLLWWSOHRQB-INIZCTEOSA-N
XLogP2.84
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
5-(1-benzylpiperidin-3-yloxy)-1H-indazole
CID 44421889
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
CID 127032086
4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
CID 23656963
2-Phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 8032427
1-Propanamine, 3-(1H-indazol-3-yloxy)-N,N-dimethyl-
CID 10220074
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1H-indazol-6-yl)phenoxy]propan-2-ol
CID 86729235
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1H-indazol-5-yl)phenoxy]propan-2-ol
CID 90335157
(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021525
(2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021579
1H-Indazole, 3-(2-(4-morpholinyl)ethoxy)-, hydrobromide
CID 215736

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine (CID 127032083) is (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine is c1ccc(OC[C@@H]2CN(Cc3[nH]nc4ccccc34)CCO2)cc1.
What is the InChIKey of (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
The InChIKey is JOEVLLWWSOHRQB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-6-15(7-3-1)24-14-16-12-22(10-11-23-16)13-19-17-8-4-5-9-18(17)20-21-19/h1-9,16H,10-14H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
(2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127032083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).