3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H25N5O3 — CID 45490962

IUPAC3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C19H25N5O3/c1-2-24-10-6-9-15(24)13-21-18(26)19-22-16(23-27-19)11-17(25)20-12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,25)(H,21,26)
InChIKeyFVUYLOWDUWHADY-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.14
Rot. Bonds8

About 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45490962) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID45490962
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C19H25N5O3/c1-2-24-10-6-9-15(24)13-21-18(26)19-22-16(23-27-19)11-17(25)20-12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,25)(H,21,26)
InChIKeyFVUYLOWDUWHADY-UHFFFAOYSA-N
XLogP1.14
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
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CID 42651602
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491121
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
3-[4-(azepan-1-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057371
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide
CID 95769578
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42582555
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 7642453

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 45490962) is 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CCN1CCCC1CNC(=O)c1nc(CC(=O)NCc2ccccc2)no1.
What is the InChIKey of 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FVUYLOWDUWHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-2-24-10-6-9-15(24)13-21-18(26)19-22-16(23-27-19)11-17(25)20-12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).