2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide

C12H17N5O2 — CID 39998075

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H17N5O2/c1-3-9(4-2)13-11(18)8-17-15-12(14-16-17)10-6-5-7-19-10/h5-7,9H,3-4,8H2,1-2H3,(H,13,18)
InChIKeyBAUUTOLNTMGBPR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds6

About 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide

2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide (PubChem CID 39998075) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
PubChem CID39998075
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H17N5O2/c1-3-9(4-2)13-11(18)8-17-15-12(14-16-17)10-6-5-7-19-10/h5-7,9H,3-4,8H2,1-2H3,(H,13,18)
InChIKeyBAUUTOLNTMGBPR-UHFFFAOYSA-N
XLogP1.24
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
CID 65219644
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911
N-(2-cyclopropyl-2-hydroxyethyl)-2-[5-(furan-2-yl)tetrazol-2-yl]acetamide
CID 63294953
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
CID 61007120
methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
CID 61409630
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide (CID 39998075) is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide?
The InChIKey is BAUUTOLNTMGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-9(4-2)13-11(18)8-17-15-12(14-16-17)10-6-5-7-19-10/h5-7,9H,3-4,8H2,1-2H3,(H,13,18).
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide?
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide has a molecular weight of 263.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 39998075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).