2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide

C12H17N5O4 — CID 103876911

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H17N5O4/c1-20-8-9(18)4-5-13-11(19)7-17-15-12(14-16-17)10-3-2-6-21-10/h2-3,6,9,18H,4-5,7-8H2,1H3,(H,13,19)
InChIKeyAHYKAWIOIDYLHD-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.55
Rot. Bonds8

About 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide

2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 103876911) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID103876911
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H17N5O4/c1-20-8-9(18)4-5-13-11(19)7-17-15-12(14-16-17)10-3-2-6-21-10/h2-3,6,9,18H,4-5,7-8H2,1H3,(H,13,19)
InChIKeyAHYKAWIOIDYLHD-UHFFFAOYSA-N
XLogP-0.55
TPSA115.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
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-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
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-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643437
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
CID 124614806
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 103876911) is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is AHYKAWIOIDYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-20-8-9(18)4-5-13-11(19)7-17-15-12(14-16-17)10-3-2-6-21-10/h2-3,6,9,18H,4-5,7-8H2,1H3,(H,13,19).
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 295.30 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 103876911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).