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

C22H21N3O2 — CID 22220978

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
SMILESO=C(CCc1cnoc1-c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(23-13-12-17-14-24-20-9-5-4-8-19(17)20)11-10-18-15-25-27-22(18)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,23,26)
InChIKeyOKFDKJFJLFXUKB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.11
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide (PubChem CID 22220978) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
PubChem CID22220978
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
SMILESO=C(CCc1cnoc1-c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(23-13-12-17-14-24-20-9-5-4-8-19(17)20)11-10-18-15-25-27-22(18)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,23,26)
InChIKeyOKFDKJFJLFXUKB-UHFFFAOYSA-N
XLogP4.11
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 22221309
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
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
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-(1H-indol-3-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 28736534
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679216
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide (CID 22220978) is N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide is O=C(CCc1cnoc1-c1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is OKFDKJFJLFXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(23-13-12-17-14-24-20-9-5-4-8-19(17)20)11-10-18-15-25-27-22(18)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,23,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 22220978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).