[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C24H19ClN2O5 — CID 136963003

IUPAC[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(C5=CCOCC5)cc4)cc23)on1
InChIInChI=1S/C24H19ClN2O5/c1-30-21-12-20(32-27-21)23(28)22-17-10-16(18(25)11-19(17)26-24(22)29)15-4-2-13(3-5-15)14-6-8-31-9-7-14/h2-6,10-12,26,29H,7-9H2,1H3
InChIKeyPLMAGXNETJRPJC-UHFFFAOYSA-N
MW450.88 g/mol
LogP5.23
Rot. Bonds5

About [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 136963003) has the molecular formula C24H19ClN2O5 and a molecular weight of 450.88 g/mol. Its IUPAC name is [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID136963003
Molecular FormulaC24H19ClN2O5
Molecular Weight450.88 g/mol
Exact Mass450.10
IUPAC Name[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(C5=CCOCC5)cc4)cc23)on1
InChIInChI=1S/C24H19ClN2O5/c1-30-21-12-20(32-27-21)23(28)22-17-10-16(18(25)11-19(17)26-24(22)29)15-4-2-13(3-5-15)14-6-8-31-9-7-14/h2-6,10-12,26,29H,7-9H2,1H3
InChIKeyPLMAGXNETJRPJC-UHFFFAOYSA-N
XLogP5.23
TPSA97.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 136963003) is [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(C5=CCOCC5)cc4)cc23)on1.
What is the InChIKey of [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is PLMAGXNETJRPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5/c1-30-21-12-20(32-27-21)23(28)22-17-10-16(18(25)11-19(17)26-24(22)29)15-4-2-13(3-5-15)14-6-8-31-9-7-14/h2-6,10-12,26,29H,7-9H2,1H3.
What are the key properties of [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 450.88 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 136963003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).