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

C22H20FN3O2 — CID 25142429

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cccc(-c2cnco2)c1
InChIInChI=1S/C22H20FN3O2/c1-13-6-7-18(23)21-20(13)17(14(2)26-21)8-9-25-22(27)16-5-3-4-15(10-16)19-11-24-12-28-19/h3-7,10-12,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyGWSOHFXZYZDQEE-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.55
Rot. Bonds5

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

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide (PubChem CID 25142429) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide
PubChem CID25142429
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cccc(-c2cnco2)c1
InChIInChI=1S/C22H20FN3O2/c1-13-6-7-18(23)21-20(13)17(14(2)26-21)8-9-25-22(27)16-5-3-4-15(10-16)19-11-24-12-28-19/h3-7,10-12,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyGWSOHFXZYZDQEE-UHFFFAOYSA-N
XLogP4.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.55
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]-3-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide (CID 25142429) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cccc(-c2cnco2)c1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide?
The InChIKey is GWSOHFXZYZDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-13-6-7-18(23)21-20(13)17(14(2)26-21)8-9-25-22(27)16-5-3-4-15(10-16)19-11-24-12-28-19/h3-7,10-12,26H,8-9H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide has a molecular weight of 377.42 g/mol, XLogP of 4.55, 5 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]-3-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 25142429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).