N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide

C13H15N3O2S — CID 106410118

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCCc1ncon1)C(S)Cc1ccccc1
InChIInChI=1S/C13H15N3O2S/c17-13(14-7-6-12-15-9-18-16-12)11(19)8-10-4-2-1-3-5-10/h1-5,9,11,19H,6-8H2,(H,14,17)
InChIKeyWVYGQUXTPJWGDG-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide (PubChem CID 106410118) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
PubChem CID106410118
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCCc1ncon1)C(S)Cc1ccccc1
InChIInChI=1S/C13H15N3O2S/c17-13(14-7-6-12-15-9-18-16-12)11(19)8-10-4-2-1-3-5-10/h1-5,9,11,19H,6-8H2,(H,14,17)
InChIKeyWVYGQUXTPJWGDG-UHFFFAOYSA-N
XLogP1.27
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
CID 106397820
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115
N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107028408
N-(3-hydroxybutyl)-3-phenyl-2-sulfanylpropanamide
CID 107031052
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
2,3-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 106394755
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide (CID 106410118) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide is O=C(NCCc1ncon1)C(S)Cc1ccccc1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The InChIKey is WVYGQUXTPJWGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(14-7-6-12-15-9-18-16-12)11(19)8-10-4-2-1-3-5-10/h1-5,9,11,19H,6-8H2,(H,14,17).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 106410118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).