4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine

C28H32FN3O3 — CID 127036064

IUPAC4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine
SMILESCOc1ccc(CCc2cc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C28H32FN3O3/c1-19-28(20(2)35-30-19)22-6-8-26-23(17-22)18-24(32(26)11-10-31-12-14-34-15-13-31)7-4-21-5-9-27(33-3)25(29)16-21/h5-6,8-9,16-18H,4,7,10-15H2,1-3H3
InChIKeyGGJHHQLJAYYHJC-UHFFFAOYSA-N
MW477.58 g/mol
LogP5.18
Rot. Bonds8

About 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine

4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine (PubChem CID 127036064) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine
PubChem CID127036064
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine
SMILESCOc1ccc(CCc2cc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C28H32FN3O3/c1-19-28(20(2)35-30-19)22-6-8-26-23(17-22)18-24(32(26)11-10-31-12-14-34-15-13-31)7-4-21-5-9-27(33-3)25(29)16-21/h5-6,8-9,16-18H,4,7,10-15H2,1-3H3
InChIKeyGGJHHQLJAYYHJC-UHFFFAOYSA-N
XLogP5.18
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.58
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

AM-630
CID 4302963
Pravadoline
CID 56463
(4-methoxyphenyl)(3-morpholinomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl)methanone
CID 15169782
(4-Methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 9847081
(2-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone
CID 10362283
(4-Methoxy-naphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone
CID 10365278
(4-Methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone
CID 15015392
(4-Methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 15015461
PF-Cbp2
CID 137640929
(3-Methoxyphenyl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 9976938
(4-Methoxyphenyl)-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanone
CID 9998752
(4-Methoxy-phenyl)-[2-methyl-1-(1-methyl-2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone
CID 10000603

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine (CID 127036064) is 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine is COc1ccc(CCc2cc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F.
What is the InChIKey of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine?
The InChIKey is GGJHHQLJAYYHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-19-28(20(2)35-30-19)22-6-8-26-23(17-22)18-24(32(26)11-10-31-12-14-34-15-13-31)7-4-21-5-9-27(33-3)25(29)16-21/h5-6,8-9,16-18H,4,7,10-15H2,1-3H3.
What are the key properties of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine?
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine has a molecular weight of 477.58 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 127036064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).