[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate

C18H19BrN2O5 — CID 16543489

IUPAC[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Br)o2)o1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H19BrN2O5/c19-13-2-1-12(25-13)15-21-20-14(26-15)8-24-16(22)17-4-10-3-11(5-17)7-18(23,6-10)9-17/h1-2,10-11,23H,3-9H2
InChIKeyUVAUEENZZLJKRE-UHFFFAOYSA-N
MW423.26 g/mol
LogP3.47
Rot. Bonds4

About [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate

[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate (PubChem CID 16543489) has the molecular formula C18H19BrN2O5 and a molecular weight of 423.26 g/mol. Its IUPAC name is [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate
PubChem CID16543489
Molecular FormulaC18H19BrN2O5
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC Name[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Br)o2)o1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H19BrN2O5/c19-13-2-1-12(25-13)15-21-20-14(26-15)8-24-16(22)17-4-10-3-11(5-17)7-18(23,6-10)9-17/h1-2,10-11,23H,3-9H2
InChIKeyUVAUEENZZLJKRE-UHFFFAOYSA-N
XLogP3.47
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate with MolForge

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate
CID 7866937
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 3-chloroadamantane-1-carboxylate
CID 154755442
(3-amino-3-oxopropyl) 3-hydroxyadamantane-1-carboxylate
CID 18283851
(4-tert-butylphenyl)methyl 3-hydroxyadamantane-1-carboxylate
CID 5006139
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458949
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 29379767
(3-methylquinoxalin-2-yl)methyl 3-hydroxyadamantane-1-carboxylate
CID 18079349
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-hydroxyadamantane-1-carboxylate
CID 4688181
[2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 3894790
ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112787993
[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 4543424
(4-carbamoyl-2-nitrophenyl)methyl (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 98284254

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate (CID 16543489) is [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate is O=C(OCc1nnc(-c2ccc(Br)o2)o1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate?
The InChIKey is UVAUEENZZLJKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5/c19-13-2-1-12(25-13)15-21-20-14(26-15)8-24-16(22)17-4-10-3-11(5-17)7-18(23,6-10)9-17/h1-2,10-11,23H,3-9H2.
What are the key properties of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate?
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate has a molecular weight of 423.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 16543489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).