5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one

C10H10BrN3O3 — CID 175516077

IUPAC5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C(O)CNc2cccc(Br)c2)o1
InChIInChI=1S/C10H10BrN3O3/c11-6-2-1-3-7(4-6)12-5-8(15)9-13-14-10(16)17-9/h1-4,8,12,15H,5H2,(H,14,16)
InChIKeySOYHYDYLZIUVKO-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.27
Rot. Bonds4

About 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one

5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 175516077) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID175516077
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C(O)CNc2cccc(Br)c2)o1
InChIInChI=1S/C10H10BrN3O3/c11-6-2-1-3-7(4-6)12-5-8(15)9-13-14-10(16)17-9/h1-4,8,12,15H,5H2,(H,14,16)
InChIKeySOYHYDYLZIUVKO-UHFFFAOYSA-N
XLogP1.27
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one (CID 175516077) is 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(C(O)CNc2cccc(Br)c2)o1.
What is the InChIKey of 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SOYHYDYLZIUVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c11-6-2-1-3-7(4-6)12-5-8(15)9-13-14-10(16)17-9/h1-4,8,12,15H,5H2,(H,14,16).
What are the key properties of 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 300.11 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 175516077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).