1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole

C12H10N4O2 — CID 168525253

IUPAC1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
SMILESCOc1cc(-n2cnnn2)ccc1-c1ccco1
InChIInChI=1S/C12H10N4O2/c1-17-12-7-9(16-8-13-14-15-16)4-5-10(12)11-3-2-6-18-11/h2-8H,1H3
InChIKeyZFXVDBUOOJVTFF-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole

1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole (PubChem CID 168525253) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
PubChem CID168525253
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
SMILESCOc1cc(-n2cnnn2)ccc1-c1ccco1
InChIInChI=1S/C12H10N4O2/c1-17-12-7-9(16-8-13-14-15-16)4-5-10(12)11-3-2-6-18-11/h2-8H,1H3
InChIKeyZFXVDBUOOJVTFF-UHFFFAOYSA-N
XLogP1.93
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-azido-3-methoxyphenyl)tetrazole
CID 151702595
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
5-(furan-2-yl)-3-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,2-oxazole
CID 26676390
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
CID 168525707
1-[3-fluoro-4-(furan-2-yl)phenyl]-4-methyltriazole
CID 168526998
N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-methoxyphenyl)-N-methyl-5-(tetrazol-1-yl)benzamide
CID 42248350
4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
CID 167816492
2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60943526
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131931402
7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole
CID 168525503
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole?
The IUPAC name of 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole (CID 168525253) is 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole.
What is the SMILES notation for 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole?
The canonical SMILES for 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole is COc1cc(-n2cnnn2)ccc1-c1ccco1.
What is the InChIKey of 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole?
The InChIKey is ZFXVDBUOOJVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-17-12-7-9(16-8-13-14-15-16)4-5-10(12)11-3-2-6-18-11/h2-8H,1H3.
What are the key properties of 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole?
1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole has a molecular weight of 242.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole is sourced from PubChem (CID 168525253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).