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

C17H18FN3O2 — CID 131946360

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H18FN3O2/c1-10-15(11(2)23-20-10)8-17(22)21(3)9-14-7-12-6-13(18)4-5-16(12)19-14/h4-7,19H,8-9H2,1-3H3
InChIKeyOJKMJRUFXIFGKF-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.11
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide (PubChem CID 131946360) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide
PubChem CID131946360
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H18FN3O2/c1-10-15(11(2)23-20-10)8-17(22)21(3)9-14-7-12-6-13(18)4-5-16(12)19-14/h4-7,19H,8-9H2,1-3H3
InChIKeyOJKMJRUFXIFGKF-UHFFFAOYSA-N
XLogP3.11
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide (CID 131946360) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide is Cc1noc(C)c1CC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
The InChIKey is OJKMJRUFXIFGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-10-15(11(2)23-20-10)8-17(22)21(3)9-14-7-12-6-13(18)4-5-16(12)19-14/h4-7,19H,8-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide has a molecular weight of 315.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 131946360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).