N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

C18H15N5O3 — CID 39037115

IUPACN-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1
InChIInChI=1S/C18H15N5O3/c24-17(20-10-15-2-1-9-25-15)18-21-16(22-26-18)14-5-3-13(4-6-14)11-23-8-7-19-12-23/h1-9,12H,10-11H2,(H,20,24)
InChIKeyJKIUXNXRLLYQIM-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.50
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39037115) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID39037115
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1
InChIInChI=1S/C18H15N5O3/c24-17(20-10-15-2-1-9-25-15)18-21-16(22-26-18)14-5-3-13(4-6-14)11-23-8-7-19-12-23/h1-9,12H,10-11H2,(H,20,24)
InChIKeyJKIUXNXRLLYQIM-UHFFFAOYSA-N
XLogP2.50
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-(3-imidazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 39035223
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37422815
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 121123630
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 46385483
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 166187049
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745
N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5298140

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 39037115) is N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccco1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is JKIUXNXRLLYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-17(20-10-15-2-1-9-25-15)18-21-16(22-26-18)14-5-3-13(4-6-14)11-23-8-7-19-12-23/h1-9,12H,10-11H2,(H,20,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39037115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).