3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C22H20FN3O2 — CID 22221309

IUPAC3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20FN3O2/c23-18-8-5-15(6-9-18)22-17(14-26-28-22)7-10-21(27)24-12-11-16-13-25-20-4-2-1-3-19(16)20/h1-6,8-9,13-14,25H,7,10-12H2,(H,24,27)
InChIKeyKRIHOMULHYXVHQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.25
Rot. Bonds7

About 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 22221309) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID22221309
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20FN3O2/c23-18-8-5-15(6-9-18)22-17(14-26-28-22)7-10-21(27)24-12-11-16-13-25-20-4-2-1-3-19(16)20/h1-6,8-9,13-14,25H,7,10-12H2,(H,24,27)
InChIKeyKRIHOMULHYXVHQ-UHFFFAOYSA-N
XLogP4.25
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
CID 22220978
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110334003
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221453
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 22221309) is 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCc1cnoc1-c1ccc(F)cc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is KRIHOMULHYXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-18-8-5-15(6-9-18)22-17(14-26-28-22)7-10-21(27)24-12-11-16-13-25-20-4-2-1-3-19(16)20/h1-6,8-9,13-14,25H,7,10-12H2,(H,24,27).
What are the key properties of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 377.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 22221309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).