3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide

C10H10BrN5O2 — CID 76923723

IUPAC3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)C=Cc1ccc(Br)o1)c1nn[nH]n1
InChIInChI=1S/C10H10BrN5O2/c1-6(10-13-15-16-14-10)12-9(17)5-3-7-2-4-8(11)18-7/h2-6H,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyUSFBLHXIXHZDRW-UHFFFAOYSA-N
MW312.13 g/mol
LogP1.45
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide

3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide (PubChem CID 76923723) has the molecular formula C10H10BrN5O2 and a molecular weight of 312.13 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
PubChem CID76923723
Molecular FormulaC10H10BrN5O2
Molecular Weight312.13 g/mol
Exact Mass311.00
IUPAC Name3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)C=Cc1ccc(Br)o1)c1nn[nH]n1
InChIInChI=1S/C10H10BrN5O2/c1-6(10-13-15-16-14-10)12-9(17)5-3-7-2-4-8(11)18-7/h2-6H,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyUSFBLHXIXHZDRW-UHFFFAOYSA-N
XLogP1.45
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
CID 76923509
(2S)-2-[3-(5-bromofuran-2-yl)prop-2-enoylamino]-N,4-dimethylpentanamide
CID 154775797
N-[1-(2H-tetrazol-5-yl)ethyl]hexa-2,4-dienamide
CID 76923671
methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-3-methylbutanoate
CID 43404147
3-(3-cyanophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
CID 76924053
(E)-3-(5-bromofuran-2-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103850883
(E)-3-(5-bromofuran-2-yl)-N-(1-hydroxy-4-methoxybutan-2-yl)prop-2-enamide
CID 114211390
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 107861463
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(5-bromofuran-2-yl)prop-2-enoate
CID 4313377

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide (CID 76923723) is 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide is CC(NC(=O)C=Cc1ccc(Br)o1)c1nn[nH]n1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is USFBLHXIXHZDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O2/c1-6(10-13-15-16-14-10)12-9(17)5-3-7-2-4-8(11)18-7/h2-6H,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 312.13 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 76923723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).