methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate

C14H12N4O3 — CID 134024131

IUPACmethyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O3/c1-20-14(19)11-7-8-21-12(11)9-18-16-13(15-17-18)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyMZOBGTDKGSWQTM-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.77
Rot. Bonds4

About methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate

methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate (PubChem CID 134024131) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
PubChem CID134024131
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Namemethyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O3/c1-20-14(19)11-7-8-21-12(11)9-18-16-13(15-17-18)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyMZOBGTDKGSWQTM-UHFFFAOYSA-N
XLogP1.77
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate
CID 17458668
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610
3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid
CID 43244445
[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62448659
methyl 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]furan-2-carboxylate
CID 18122488
methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 18150309
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 2-methyl-4-(5-phenyltetrazol-2-yl)but-2-enoate
CID 77075919
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
methyl 2-[[2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 2712058
methyl 4-[2-(2,2-difluoroethyl)tetrazol-5-yl]benzoate
CID 71999533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate (CID 134024131) is methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate is COC(=O)c1ccoc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate?
The InChIKey is MZOBGTDKGSWQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-20-14(19)11-7-8-21-12(11)9-18-16-13(15-17-18)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate?
methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 134024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).