N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide

C14H13N5O3 — CID 71791372

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C14H13N5O3/c1-21-11-6-4-10(5-7-11)19-17-13(16-18-19)14(20)15-9-12-3-2-8-22-12/h2-8H,9H2,1H3,(H,15,20)
InChIKeyFGZKGMMWZRURQO-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.19
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide (PubChem CID 71791372) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
PubChem CID71791372
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C14H13N5O3/c1-21-11-6-4-10(5-7-11)19-17-13(16-18-19)14(20)15-9-12-3-2-8-22-12/h2-8H,9H2,1H3,(H,15,20)
InChIKeyFGZKGMMWZRURQO-UHFFFAOYSA-N
XLogP1.19
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880848
N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111173
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100
N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
CID 42812033
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide (CID 71791372) is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide is COc1ccc(-n2nnc(C(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide?
The InChIKey is FGZKGMMWZRURQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-21-11-6-4-10(5-7-11)19-17-13(16-18-19)14(20)15-9-12-3-2-8-22-12/h2-8H,9H2,1H3,(H,15,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide?
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 71791372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).