[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone

C28H28ClN3O4 — CID 137000373

IUPAC[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(C2CCCCC2)no1)c1c(O)[nH]c2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C28H28ClN3O4/c29-22-15-24-21(14-20(22)17-6-8-19(9-7-17)32-10-12-35-13-11-32)26(28(34)30-24)27(33)25-16-23(31-36-25)18-4-2-1-3-5-18/h6-9,14-16,18,30,34H,1-5,10-13H2
InChIKeyLHHYKAPOIRFYPF-UHFFFAOYSA-N
MW506.00 g/mol
LogP6.30
Rot. Bonds5

About [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone

[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone (PubChem CID 137000373) has the molecular formula C28H28ClN3O4 and a molecular weight of 506.00 g/mol. Its IUPAC name is [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone
PubChem CID137000373
Molecular FormulaC28H28ClN3O4
Molecular Weight506.00 g/mol
Exact Mass505.18
IUPAC Name[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(C2CCCCC2)no1)c1c(O)[nH]c2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C28H28ClN3O4/c29-22-15-24-21(14-20(22)17-6-8-19(9-7-17)32-10-12-35-13-11-32)26(28(34)30-24)27(33)25-16-23(31-36-25)18-4-2-1-3-5-18/h6-9,14-16,18,30,34H,1-5,10-13H2
InChIKeyLHHYKAPOIRFYPF-UHFFFAOYSA-N
XLogP6.30
TPSA91.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.00
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-chloro-2-hydroxy-5-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 137000312
[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(5-methoxy-2-pyridinyl)methanone
CID 137000426
4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]cyclohexane-1-carboxylic acid
CID 118243514
(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile
CID 144691100
1-[6-chloro-2-hydroxy-5-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indol-3-yl]ethanone
CID 137484076
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
1-[6-chloro-5-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenyl]-2-hydroxy-1H-indol-3-yl]ethanone
CID 137484119
N-[2-[4-[[6-chloro-3-cyano-5-(4-morpholin-4-ylphenyl)-1H-indol-2-yl]oxy]phenyl]propan-2-yl]acetamide
CID 118243507
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol
CID 137335517
(3Z)-6-chloro-3-[(4-cyclohexyl-2H-1,3-oxazin-6-yl)methylidene]-5-(4-morpholin-4-ylphenyl)-1H-indol-2-one
CID 137484050
7-chloro-4-hydroxy-6-(4-pyrrolidin-1-ylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-quinolin-2-one
CID 136992759

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone (CID 137000373) is [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone is O=C(c1cc(C2CCCCC2)no1)c1c(O)[nH]c2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone?
The InChIKey is LHHYKAPOIRFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O4/c29-22-15-24-21(14-20(22)17-6-8-19(9-7-17)32-10-12-35-13-11-32)26(28(34)30-24)27(33)25-16-23(31-36-25)18-4-2-1-3-5-18/h6-9,14-16,18,30,34H,1-5,10-13H2.
What are the key properties of [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone?
[6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone has a molecular weight of 506.00 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 137000373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).