2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

C15H13N5O4 — CID 715379

IUPAC2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccco1
InChIInChI=1S/C15H13N5O4/c21-14(16-7-11-2-1-5-22-11)8-20-18-15(17-19-20)10-3-4-12-13(6-10)24-9-23-12/h1-6H,7-9H2,(H,16,21)
InChIKeyJIIWCWFJGYMRQX-UHFFFAOYSA-N
MW327.30 g/mol
LogP0.98
Rot. Bonds5

About 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 715379) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID715379
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccco1
InChIInChI=1S/C15H13N5O4/c21-14(16-7-11-2-1-5-22-11)8-20-18-15(17-19-20)10-3-4-12-13(6-10)24-9-23-12/h1-6H,7-9H2,(H,16,21)
InChIKeyJIIWCWFJGYMRQX-UHFFFAOYSA-N
XLogP0.98
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
N-Benzo[1,3]dioxol-5-ylmethyl-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-acetamide
CID 1373934
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 3179731
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 718601
N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide
CID 3174622
N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 3178575
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 3179718
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 4814231
N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 654687
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 1175335
N-(2-furylmethyl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 2939128

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 715379) is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccco1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JIIWCWFJGYMRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c21-14(16-7-11-2-1-5-22-11)8-20-18-15(17-19-20)10-3-4-12-13(6-10)24-9-23-12/h1-6H,7-9H2,(H,16,21).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 327.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 715379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).