2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole

C18H14N2O2 — CID 29139838

IUPAC2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole
SMILESC1=C(c2nnc(Cc3ccccc3)o2)COc2ccccc21
InChIInChI=1S/C18H14N2O2/c1-2-6-13(7-3-1)10-17-19-20-18(22-17)15-11-14-8-4-5-9-16(14)21-12-15/h1-9,11H,10,12H2
InChIKeyKUPOUDFGTDHDMB-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.59
Rot. Bonds3

About 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole

2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole (PubChem CID 29139838) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole
PubChem CID29139838
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole
SMILESC1=C(c2nnc(Cc3ccccc3)o2)COc2ccccc21
InChIInChI=1S/C18H14N2O2/c1-2-6-13(7-3-1)10-17-19-20-18(22-17)15-11-14-8-4-5-9-16(14)21-12-15/h1-9,11H,10,12H2
InChIKeyKUPOUDFGTDHDMB-UHFFFAOYSA-N
XLogP3.59
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489318
2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
CID 29132376
2-benzyl-5-(bromomethyl)-1,3,4-oxadiazole
CID 89104418
2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole
CID 167775559
2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
2-(2H-chromen-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102537173
2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine
CID 71515696
2-benzyl-5-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
CID 66577754
2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 142315891
2-[(4-nitrophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 13004923
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole (CID 29139838) is 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole is C1=C(c2nnc(Cc3ccccc3)o2)COc2ccccc21.
What is the InChIKey of 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole?
The InChIKey is KUPOUDFGTDHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-2-6-13(7-3-1)10-17-19-20-18(22-17)15-11-14-8-4-5-9-16(14)21-12-15/h1-9,11H,10,12H2.
What are the key properties of 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole?
2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole has a molecular weight of 290.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 29139838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).