N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H26N4O2 — CID 3245637

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C19H26N4O2/c1-3-23-12-4-5-16(23)13-20-17(24)10-11-18-21-19(22-25-18)15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,24)
InChIKeyDXWIEZMIVULJQX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.58
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3245637) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3245637
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C19H26N4O2/c1-3-23-12-4-5-16(23)13-20-17(24)10-11-18-21-19(22-25-18)15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,24)
InChIKeyDXWIEZMIVULJQX-UHFFFAOYSA-N
XLogP2.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3245637) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN1CCCC1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is DXWIEZMIVULJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-12-4-5-16(23)13-20-17(24)10-11-18-21-19(22-25-18)15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3245637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).