1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol

C10H10Br2N2O4 — CID 15169743

IUPAC1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol
SMILESOC(CCC(O)c1conc1Br)c1cc(Br)no1
InChIInChI=1S/C10H10Br2N2O4/c11-9-3-8(18-13-9)7(16)2-1-6(15)5-4-17-14-10(5)12/h3-4,6-7,15-16H,1-2H2
InChIKeyPEQIVEQBRPBHJX-UHFFFAOYSA-N
MW382.01 g/mol
LogP2.73
Rot. Bonds5

About 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol

1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol (PubChem CID 15169743) has the molecular formula C10H10Br2N2O4 and a molecular weight of 382.01 g/mol. Its IUPAC name is 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol.

Molecular Properties

Compound Name1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol
PubChem CID15169743
Molecular FormulaC10H10Br2N2O4
Molecular Weight382.01 g/mol
Exact Mass379.90
IUPAC Name1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol
SMILESOC(CCC(O)c1conc1Br)c1cc(Br)no1
InChIInChI=1S/C10H10Br2N2O4/c11-9-3-8(18-13-9)7(16)2-1-6(15)5-4-17-14-10(5)12/h3-4,6-7,15-16H,1-2H2
InChIKeyPEQIVEQBRPBHJX-UHFFFAOYSA-N
XLogP2.73
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.01
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol?
The IUPAC name of 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol (CID 15169743) is 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol.
What is the SMILES notation for 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol?
The canonical SMILES for 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol is OC(CCC(O)c1conc1Br)c1cc(Br)no1.
What is the InChIKey of 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol?
The InChIKey is PEQIVEQBRPBHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O4/c11-9-3-8(18-13-9)7(16)2-1-6(15)5-4-17-14-10(5)12/h3-4,6-7,15-16H,1-2H2.
What are the key properties of 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol?
1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol has a molecular weight of 382.01 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1,2-oxazol-4-yl)-4-(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol is sourced from PubChem (CID 15169743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).