5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide

C21H18FN3O2 — CID 70746718

IUPAC5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H18FN3O2/c1-13-17-10-15(22)8-9-18(17)23-20(13)21(26)25(2)12-16-11-19(24-27-16)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3
InChIKeyMPHPRQMRXVGOSB-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.54
Rot. Bonds4

About 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide

5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 70746718) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide
PubChem CID70746718
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H18FN3O2/c1-13-17-10-15(22)8-9-18(17)23-20(13)21(26)25(2)12-16-11-19(24-27-16)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3
InChIKeyMPHPRQMRXVGOSB-UHFFFAOYSA-N
XLogP4.54
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide (CID 70746718) is 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide is Cc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MPHPRQMRXVGOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13-17-10-15(22)8-9-18(17)23-20(13)21(26)25(2)12-16-11-19(24-27-16)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3.
What are the key properties of 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide?
5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70746718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).