N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

C15H15N5O2 — CID 18565514

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H15N5O2/c1-10-5-6-12(8-11(10)2)20-14(17-18-19-20)9-16-15(21)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,16,21)
InChIKeyODUGOQCSJDJKKH-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.80
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 18565514) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
PubChem CID18565514
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H15N5O2/c1-10-5-6-12(8-11(10)2)20-14(17-18-19-20)9-16-15(21)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,16,21)
InChIKeyODUGOQCSJDJKKH-UHFFFAOYSA-N
XLogP1.80
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (CID 18565514) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is Cc1ccc(-n2nnnc2CNC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is ODUGOQCSJDJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-5-6-12(8-11(10)2)20-14(17-18-19-20)9-16-15(21)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,16,21).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 18565514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).