(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate

C13H16BrN5O4 — CID 7703282

IUPAC(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCCCCn1nnnc1COC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H16BrN5O4/c1-2-3-6-19-11(16-17-18-19)8-22-12(20)7-15-13(21)9-4-5-10(14)23-9/h4-5H,2-3,6-8H2,1H3,(H,15,21)
InChIKeyBEPOBGSJUDCOOA-UHFFFAOYSA-N
MW386.21 g/mol
LogP1.30
Rot. Bonds8

About (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate

(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7703282) has the molecular formula C13H16BrN5O4 and a molecular weight of 386.21 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7703282
Molecular FormulaC13H16BrN5O4
Molecular Weight386.21 g/mol
Exact Mass385.04
IUPAC Name(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCCCCn1nnnc1COC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H16BrN5O4/c1-2-3-6-19-11(16-17-18-19)8-22-12(20)7-15-13(21)9-4-5-10(14)23-9/h4-5H,2-3,6-8H2,1H3,(H,15,21)
InChIKeyBEPOBGSJUDCOOA-UHFFFAOYSA-N
XLogP1.30
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
CID 55624067
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701272
(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55390402
(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562402
(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176
(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401533
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
(1-propyltetrazol-5-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880490
(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate
CID 55390145
(1-propyltetrazol-5-yl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399245
(1-butyltetrazol-5-yl)methyl 4-bromo-3-nitrobenzoate
CID 7715995

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7703282) is (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate is CCCCn1nnnc1COC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is BEPOBGSJUDCOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O4/c1-2-3-6-19-11(16-17-18-19)8-22-12(20)7-15-13(21)9-4-5-10(14)23-9/h4-5H,2-3,6-8H2,1H3,(H,15,21).
What are the key properties of (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 386.21 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7703282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).