N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide

C14H14FN3O2 — CID 126834852

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C14H14FN3O2/c1-8-13(9(2)20-17-8)16-14(19)18-6-5-10-7-11(15)3-4-12(10)18/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyFSOKXLLSHJVZJG-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.03
Rot. Bonds1

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide (PubChem CID 126834852) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide
PubChem CID126834852
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C14H14FN3O2/c1-8-13(9(2)20-17-8)16-14(19)18-6-5-10-7-11(15)3-4-12(10)18/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyFSOKXLLSHJVZJG-UHFFFAOYSA-N
XLogP3.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide (CID 126834852) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide is Cc1noc(C)c1NC(=O)N1CCc2cc(F)ccc21.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide?
The InChIKey is FSOKXLLSHJVZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-8-13(9(2)20-17-8)16-14(19)18-6-5-10-7-11(15)3-4-12(10)18/h3-4,7H,5-6H2,1-2H3,(H,16,19).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 126834852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).