methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate

C15H14N4O4 — CID 7705728

IUPACmethyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COc2cccc(-n3cnnn3)c2)oc1C
InChIInChI=1S/C15H14N4O4/c1-10-14(15(20)21-2)7-13(23-10)8-22-12-5-3-4-11(6-12)19-9-16-17-18-19/h3-7,9H,8H2,1-2H3
InChIKeyYUQQVLMLYHJNIR-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.93
Rot. Bonds5

About methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate (PubChem CID 7705728) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
PubChem CID7705728
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Namemethyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COc2cccc(-n3cnnn3)c2)oc1C
InChIInChI=1S/C15H14N4O4/c1-10-14(15(20)21-2)7-13(23-10)8-22-12-5-3-4-11(6-12)19-9-16-17-18-19/h3-7,9H,8H2,1-2H3
InChIKeyYUQQVLMLYHJNIR-UHFFFAOYSA-N
XLogP1.93
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
methyl 2-methyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate
CID 8787133
5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477198
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
CID 52891595
5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 43845083
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
[3-(tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate
CID 4822212

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate (CID 7705728) is methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate is COC(=O)c1cc(COc2cccc(-n3cnnn3)c2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate?
The InChIKey is YUQQVLMLYHJNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-10-14(15(20)21-2)7-13(23-10)8-22-12-5-3-4-11(6-12)19-9-16-17-18-19/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate is sourced from PubChem (CID 7705728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).