3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

C20H19N5O3 — CID 37422815

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H19N5O3/c26-18(7-8-19-23-20(24-28-19)17-2-1-11-27-17)22-12-15-3-5-16(6-4-15)13-25-10-9-21-14-25/h1-6,9-11,14H,7-8,12-13H2,(H,22,26)
InChIKeyJXJGDCJAHNVYTD-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.82
Rot. Bonds8

About 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 37422815) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID37422815
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H19N5O3/c26-18(7-8-19-23-20(24-28-19)17-2-1-11-27-17)22-12-15-3-5-16(6-4-15)13-25-10-9-21-14-25/h1-6,9-11,14H,7-8,12-13H2,(H,22,26)
InChIKeyJXJGDCJAHNVYTD-UHFFFAOYSA-N
XLogP2.82
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55475322
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36816873
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55555220
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595
N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 39037115
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
[1-(benzylamino)-1-oxopropan-2-yl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553846
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 50956111
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide (CID 37422815) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCc1nc(-c2ccco2)no1)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is JXJGDCJAHNVYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-18(7-8-19-23-20(24-28-19)17-2-1-11-27-17)22-12-15-3-5-16(6-4-15)13-25-10-9-21-14-25/h1-6,9-11,14H,7-8,12-13H2,(H,22,26).
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 377.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 37422815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).