(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide

C17H20N4O3 — CID 122169858

IUPAC(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)C[C@H](C(=O)NCc1nc(-c2ccco2)no1)n1cccc1
InChIInChI=1S/C17H20N4O3/c1-12(2)10-13(21-7-3-4-8-21)17(22)18-11-15-19-16(20-24-15)14-6-5-9-23-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyUVFQULSQAGCTQC-CYBMUJFWSA-N
MW328.37 g/mol
LogP3.03
Rot. Bonds7

About (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide

(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide (PubChem CID 122169858) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide
PubChem CID122169858
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)C[C@H](C(=O)NCc1nc(-c2ccco2)no1)n1cccc1
InChIInChI=1S/C17H20N4O3/c1-12(2)10-13(21-7-3-4-8-21)17(22)18-11-15-19-16(20-24-15)14-6-5-9-23-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyUVFQULSQAGCTQC-CYBMUJFWSA-N
XLogP3.03
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide with MolForge

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Related Compounds

(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95158981
N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119586530
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121239997
[1-(benzylamino)-1-oxopropan-2-yl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553846
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833607
(2R,3R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95613865
(2S,3R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95613864
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 50956111
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 62694884
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 91821037

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The IUPAC name of (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide (CID 122169858) is (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The canonical SMILES for (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide is CC(C)C[C@H](C(=O)NCc1nc(-c2ccco2)no1)n1cccc1.
What is the InChIKey of (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The InChIKey is UVFQULSQAGCTQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(2)10-13(21-7-3-4-8-21)17(22)18-11-15-19-16(20-24-15)14-6-5-9-23-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide?
(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide has a molecular weight of 328.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 122169858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).