2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

C16H15ClN4O3 — CID 97331689

IUPAC2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCOC[C@@H]1c1ncon1
InChIInChI=1S/C16H15ClN4O3/c17-11-1-2-12-10(7-18-13(12)6-11)5-15(22)21-3-4-23-8-14(21)16-19-9-24-20-16/h1-2,6-7,9,14,18H,3-5,8H2/t14-/m1/s1
InChIKeyZIBPBRGELFFBSO-CQSZACIVSA-N
MW346.77 g/mol
LogP2.35
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 97331689) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
PubChem CID97331689
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCOC[C@@H]1c1ncon1
InChIInChI=1S/C16H15ClN4O3/c17-11-1-2-12-10(7-18-13(12)6-11)5-15(22)21-3-4-23-8-14(21)16-19-9-24-20-16/h1-2,6-7,9,14,18H,3-5,8H2/t14-/m1/s1
InChIKeyZIBPBRGELFFBSO-CQSZACIVSA-N
XLogP2.35
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445
(E)-3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75470569
3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126769896
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
2-naphthalen-2-yloxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331604
3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97331620
1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 136521396
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97331656
2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331565
3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470555
2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 95232987

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (CID 97331689) is 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCOC[C@@H]1c1ncon1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is ZIBPBRGELFFBSO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c17-11-1-2-12-10(7-18-13(12)6-11)5-15(22)21-3-4-23-8-14(21)16-19-9-24-20-16/h1-2,6-7,9,14,18H,3-5,8H2/t14-/m1/s1.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 346.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97331689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).