3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide

C17H14BrN3O4 — CID 112844134

IUPAC3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(OCc2nnc(-c3ccc(Br)o3)o2)c1
InChIInChI=1S/C17H14BrN3O4/c18-14-7-6-13(24-14)17-21-20-15(25-17)9-23-12-3-1-2-10(8-12)16(22)19-11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,19,22)
InChIKeyOUHHXBYFRZFQTK-UHFFFAOYSA-N
MW404.22 g/mol
LogP3.56
Rot. Bonds6

About 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide

3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide (PubChem CID 112844134) has the molecular formula C17H14BrN3O4 and a molecular weight of 404.22 g/mol. Its IUPAC name is 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide
PubChem CID112844134
Molecular FormulaC17H14BrN3O4
Molecular Weight404.22 g/mol
Exact Mass403.02
IUPAC Name3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(OCc2nnc(-c3ccc(Br)o3)o2)c1
InChIInChI=1S/C17H14BrN3O4/c18-14-7-6-13(24-14)17-21-20-15(25-17)9-23-12-3-1-2-10(8-12)16(22)19-11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,19,22)
InChIKeyOUHHXBYFRZFQTK-UHFFFAOYSA-N
XLogP3.56
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112788001
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 16545573
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
CID 55864621
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550325
7-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-4-propan-2-ylchromen-2-one
CID 29357253
N-cyclohexyl-3-propoxybenzamide
CID 4960053

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide (CID 112844134) is 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(OCc2nnc(-c3ccc(Br)o3)o2)c1.
What is the InChIKey of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide?
The InChIKey is OUHHXBYFRZFQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O4/c18-14-7-6-13(24-14)17-21-20-15(25-17)9-23-12-3-1-2-10(8-12)16(22)19-11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,19,22).
What are the key properties of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide?
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide has a molecular weight of 404.22 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 112844134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).