(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone

C19H22N4O4 — CID 97345254

IUPAC(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
SMILESCCn1c(C(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc2ccccc21
InChIInChI=1S/C19H22N4O4/c1-3-22-14-7-5-4-6-13(14)10-15(22)19(24)23-8-9-26-11-16(23)18-20-17(12-25-2)27-21-18/h4-7,10,16H,3,8-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyHBVALFSDCGCNIV-MRXNPFEDSA-N
MW370.41 g/mol
LogP2.40
Rot. Bonds5

About (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone

(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone (PubChem CID 97345254) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
PubChem CID97345254
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
SMILESCCn1c(C(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc2ccccc21
InChIInChI=1S/C19H22N4O4/c1-3-22-14-7-5-4-6-13(14)10-15(22)19(24)23-8-9-26-11-16(23)18-20-17(12-25-2)27-21-18/h4-7,10,16H,3,8-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyHBVALFSDCGCNIV-MRXNPFEDSA-N
XLogP2.40
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 75474958
3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126774120
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 136538138
(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 138026961
3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126767891
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127926168
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
(3,3-difluorocyclohexyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 136540499
(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474993
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
(2-ethyl-1,3-thiazol-5-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474979

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
The IUPAC name of (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone (CID 97345254) is (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
The canonical SMILES for (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone is CCn1c(C(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc2ccccc21.
What is the InChIKey of (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
The InChIKey is HBVALFSDCGCNIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-3-22-14-7-5-4-6-13(14)10-15(22)19(24)23-8-9-26-11-16(23)18-20-17(12-25-2)27-21-18/h4-7,10,16H,3,8-9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone has a molecular weight of 370.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 97345254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).