(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine

C16H19N5O3 — CID 95708943

IUPAC(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
SMILESCOCc1noc(C[C@@H]2CN(c3ccc4cc[nH]c4n3)CCO2)n1
InChIInChI=1S/C16H19N5O3/c1-22-10-13-18-15(24-20-13)8-12-9-21(6-7-23-12)14-3-2-11-4-5-17-16(11)19-14/h2-5,12H,6-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyBQARMFMVAWBEML-GFCCVEGCSA-N
MW329.36 g/mol
LogP1.54
Rot. Bonds5

About (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine

(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine (PubChem CID 95708943) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
PubChem CID95708943
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
SMILESCOCc1noc(C[C@@H]2CN(c3ccc4cc[nH]c4n3)CCO2)n1
InChIInChI=1S/C16H19N5O3/c1-22-10-13-18-15(24-20-13)8-12-9-21(6-7-23-12)14-3-2-11-4-5-17-16(11)19-14/h2-5,12H,6-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyBQARMFMVAWBEML-GFCCVEGCSA-N
XLogP1.54
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 56883063
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
CID 97434480
[(2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 97148139
(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 56888603
1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone
CID 97451805
1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74241951
5-[[(1S,3R,4R)-3-iodo-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 136643756
1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 91911357
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186
[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
CID 56875485
6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 95889188
methyl 2-(4-quinolin-2-ylmorpholin-2-yl)acetate
CID 79764299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The IUPAC name of (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine (CID 95708943) is (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine.
What is the SMILES notation for (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The canonical SMILES for (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine is COCc1noc(C[C@@H]2CN(c3ccc4cc[nH]c4n3)CCO2)n1.
What is the InChIKey of (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The InChIKey is BQARMFMVAWBEML-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-22-10-13-18-15(24-20-13)8-12-9-21(6-7-23-12)14-3-2-11-4-5-17-16(11)19-14/h2-5,12H,6-10H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine has a molecular weight of 329.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine is sourced from PubChem (CID 95708943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).