[6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C22H16ClN3O4 — CID 137000385

IUPAC[6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc5c(ccn5C)c4)cc23)on1
InChIInChI=1S/C22H16ClN3O4/c1-26-6-5-12-7-11(3-4-17(12)26)13-8-14-16(9-15(13)23)24-22(28)20(14)21(27)18-10-19(29-2)25-30-18/h3-10,24,28H,1-2H3
InChIKeySANLGXVUKLTJOV-UHFFFAOYSA-N
MW421.84 g/mol
LogP4.91
Rot. Bonds4

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

[6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 137000385) has the molecular formula C22H16ClN3O4 and a molecular weight of 421.84 g/mol. Its IUPAC name is [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID137000385
Molecular FormulaC22H16ClN3O4
Molecular Weight421.84 g/mol
Exact Mass421.08
IUPAC Name[6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc5c(ccn5C)c4)cc23)on1
InChIInChI=1S/C22H16ClN3O4/c1-26-6-5-12-7-11(3-4-17(12)26)13-8-14-16(9-15(13)23)24-22(28)20(14)21(27)18-10-19(29-2)25-30-18/h3-10,24,28H,1-2H3
InChIKeySANLGXVUKLTJOV-UHFFFAOYSA-N
XLogP4.91
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 137000385) is [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc5c(ccn5C)c4)cc23)on1.
What is the InChIKey of [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is SANLGXVUKLTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4/c1-26-6-5-12-7-11(3-4-17(12)26)13-8-14-16(9-15(13)23)24-22(28)20(14)21(27)18-10-19(29-2)25-30-18/h3-10,24,28H,1-2H3.
What are the key properties of [6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[6-chloro-2-hydroxy-5-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 421.84 g/mol, XLogP of 4.91, 4 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-(1-methylindol-5-yl)-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 137000385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).