3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

C19H16N4O2 — CID 71706335

IUPAC3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)Nc1ccccc1
InChIInChI=1S/C19H16N4O2/c24-17(21-15-4-2-1-3-5-15)8-9-18-22-19(23-25-18)14-7-6-13-10-11-20-16(13)12-14/h1-7,10-12,20H,8-9H2,(H,21,24)
InChIKeyPONNWCKFLZVNBZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.79
Rot. Bonds5

About 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 71706335) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID71706335
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)Nc1ccccc1
InChIInChI=1S/C19H16N4O2/c24-17(21-15-4-2-1-3-5-15)8-9-18-22-19(23-25-18)14-7-6-13-10-11-20-16(13)12-14/h1-7,10-12,20H,8-9H2,(H,21,24)
InChIKeyPONNWCKFLZVNBZ-UHFFFAOYSA-N
XLogP3.79
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71703336
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(1H-indol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70779617
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
CID 71705041
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71701015
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 96558035
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 71706335) is 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)Nc1ccccc1.
What is the InChIKey of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is PONNWCKFLZVNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-17(21-15-4-2-1-3-5-15)8-9-18-22-19(23-25-18)14-7-6-13-10-11-20-16(13)12-14/h1-7,10-12,20H,8-9H2,(H,21,24).
What are the key properties of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 332.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 71706335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).