5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide

C11H13BrN4O3 — CID 146139999

IUPAC5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide
SMILESCc1cc(C(=O)NCC(O)Cn2ccnn2)oc1Br
InChIInChI=1S/C11H13BrN4O3/c1-7-4-9(19-10(7)12)11(18)13-5-8(17)6-16-3-2-14-15-16/h2-4,8,17H,5-6H2,1H3,(H,13,18)
InChIKeyFPVBPDCMFGIHKI-UHFFFAOYSA-N
MW329.15 g/mol
LogP0.73
Rot. Bonds5

About 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide

5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide (PubChem CID 146139999) has the molecular formula C11H13BrN4O3 and a molecular weight of 329.15 g/mol. Its IUPAC name is 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide
PubChem CID146139999
Molecular FormulaC11H13BrN4O3
Molecular Weight329.15 g/mol
Exact Mass328.02
IUPAC Name5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide
SMILESCc1cc(C(=O)NCC(O)Cn2ccnn2)oc1Br
InChIInChI=1S/C11H13BrN4O3/c1-7-4-9(19-10(7)12)11(18)13-5-8(17)6-16-3-2-14-15-16/h2-4,8,17H,5-6H2,1H3,(H,13,18)
InChIKeyFPVBPDCMFGIHKI-UHFFFAOYSA-N
XLogP0.73
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide (CID 146139999) is 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide is Cc1cc(C(=O)NCC(O)Cn2ccnn2)oc1Br.
What is the InChIKey of 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide?
The InChIKey is FPVBPDCMFGIHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O3/c1-7-4-9(19-10(7)12)11(18)13-5-8(17)6-16-3-2-14-15-16/h2-4,8,17H,5-6H2,1H3,(H,13,18).
What are the key properties of 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide?
5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide has a molecular weight of 329.15 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide is sourced from PubChem (CID 146139999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).