2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C18H18FN3O3 — CID 70486676

IUPAC2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCc1onc(C)c1-c1[nH]c2ccc(F)cc2c1C(=O)C(=O)N(C)C
InChIInChI=1S/C18H18FN3O3/c1-5-13-14(9(2)21-25-13)16-15(17(23)18(24)22(3)4)11-8-10(19)6-7-12(11)20-16/h6-8,20H,5H2,1-4H3
InChIKeyWCBKODDYMSJOSJ-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.10
Rot. Bonds4

About 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 70486676) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID70486676
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCc1onc(C)c1-c1[nH]c2ccc(F)cc2c1C(=O)C(=O)N(C)C
InChIInChI=1S/C18H18FN3O3/c1-5-13-14(9(2)21-25-13)16-15(17(23)18(24)22(3)4)11-8-10(19)6-7-12(11)20-16/h6-8,20H,5H2,1-4H3
InChIKeyWCBKODDYMSJOSJ-UHFFFAOYSA-N
XLogP3.10
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 70486676) is 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is CCc1onc(C)c1-c1[nH]c2ccc(F)cc2c1C(=O)C(=O)N(C)C.
What is the InChIKey of 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is WCBKODDYMSJOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-5-13-14(9(2)21-25-13)16-15(17(23)18(24)22(3)4)11-8-10(19)6-7-12(11)20-16/h6-8,20H,5H2,1-4H3.
What are the key properties of 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 343.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 70486676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).