5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide

C21H18ClN3O2 — CID 91524134

IUPAC5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(CC(Cc2ccccc2)c2c[nH]c3ccc(Cl)cc23)on1
InChIInChI=1S/C21H18ClN3O2/c22-15-6-7-19-17(10-15)18(12-24-19)14(8-13-4-2-1-3-5-13)9-16-11-20(21(23)26)25-27-16/h1-7,10-12,14,24H,8-9H2,(H2,23,26)
InChIKeyDRINKZSRUSPPCJ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.48
Rot. Bonds6

About 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide

5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 91524134) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide
PubChem CID91524134
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(CC(Cc2ccccc2)c2c[nH]c3ccc(Cl)cc23)on1
InChIInChI=1S/C21H18ClN3O2/c22-15-6-7-19-17(10-15)18(12-24-19)14(8-13-4-2-1-3-5-13)9-16-11-20(21(23)26)25-27-16/h1-7,10-12,14,24H,8-9H2,(H2,23,26)
InChIKeyDRINKZSRUSPPCJ-UHFFFAOYSA-N
XLogP4.48
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide (CID 91524134) is 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide is NC(=O)c1cc(CC(Cc2ccccc2)c2c[nH]c3ccc(Cl)cc23)on1.
What is the InChIKey of 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DRINKZSRUSPPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-15-6-7-19-17(10-15)18(12-24-19)14(8-13-4-2-1-3-5-13)9-16-11-20(21(23)26)25-27-16/h1-7,10-12,14,24H,8-9H2,(H2,23,26).
What are the key properties of 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide?
5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-1H-indol-3-yl)-3-phenylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91524134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).