N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine

C23H22FN3O — CID 89217598

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine
SMILESC=C(NCCc1c(C)[nH]c2c(F)ccc(C)c12)c1cccc(-c2cnco2)c1
InChIInChI=1S/C23H22FN3O/c1-14-7-8-20(24)23-22(14)19(16(3)27-23)9-10-26-15(2)17-5-4-6-18(11-17)21-12-25-13-28-21/h4-8,11-13,26-27H,2,9-10H2,1,3H3
InChIKeyTTZKQKHBCLBHMB-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.38
Rot. Bonds6

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine (PubChem CID 89217598) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine
PubChem CID89217598
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine
SMILESC=C(NCCc1c(C)[nH]c2c(F)ccc(C)c12)c1cccc(-c2cnco2)c1
InChIInChI=1S/C23H22FN3O/c1-14-7-8-20(24)23-22(14)19(16(3)27-23)9-10-26-15(2)17-5-4-6-18(11-17)21-12-25-13-28-21/h4-8,11-13,26-27H,2,9-10H2,1,3H3
InChIKeyTTZKQKHBCLBHMB-UHFFFAOYSA-N
XLogP5.38
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine (CID 89217598) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine is C=C(NCCc1c(C)[nH]c2c(F)ccc(C)c12)c1cccc(-c2cnco2)c1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine?
The InChIKey is TTZKQKHBCLBHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-14-7-8-20(24)23-22(14)19(16(3)27-23)9-10-26-15(2)17-5-4-6-18(11-17)21-12-25-13-28-21/h4-8,11-13,26-27H,2,9-10H2,1,3H3.
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine has a molecular weight of 375.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1-[3-(1,3-oxazol-5-yl)phenyl]ethenamine is sourced from PubChem (CID 89217598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).