2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one

C14H12N4O2 — CID 62024913

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)n1nnc(-c2ccco2)n1
InChIInChI=1S/C14H12N4O2/c1-10(13(19)11-6-3-2-4-7-11)18-16-14(15-17-18)12-8-5-9-20-12/h2-10H,1H3
InChIKeyBDDVPEYWMOUNLH-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.38
Rot. Bonds4

About 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one

2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one (PubChem CID 62024913) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one
PubChem CID62024913
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)n1nnc(-c2ccco2)n1
InChIInChI=1S/C14H12N4O2/c1-10(13(19)11-6-3-2-4-7-11)18-16-14(15-17-18)12-8-5-9-20-12/h2-10H,1H3
InChIKeyBDDVPEYWMOUNLH-UHFFFAOYSA-N
XLogP2.38
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
CID 62025284
2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
CID 81298403
methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
CID 54915091
2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
CID 103224370
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine
CID 62567377
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one (CID 62024913) is 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)n1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one?
The InChIKey is BDDVPEYWMOUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10(13(19)11-6-3-2-4-7-11)18-16-14(15-17-18)12-8-5-9-20-12/h2-10H,1H3.
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one?
2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one has a molecular weight of 268.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 62024913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).