2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide

C12H15N5O3 — CID 115643437

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccco2)n1)NCC1(O)CCC1
InChIInChI=1S/C12H15N5O3/c18-10(13-8-12(19)4-2-5-12)7-17-15-11(14-16-17)9-3-1-6-20-9/h1,3,6,19H,2,4-5,7-8H2,(H,13,18)
InChIKeyHMCKFFFTOZHWDR-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.04
Rot. Bonds5

About 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide

2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 115643437) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID115643437
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccco2)n1)NCC1(O)CCC1
InChIInChI=1S/C12H15N5O3/c18-10(13-8-12(19)4-2-5-12)7-17-15-11(14-16-17)9-3-1-6-20-9/h1,3,6,19H,2,4-5,7-8H2,(H,13,18)
InChIKeyHMCKFFFTOZHWDR-UHFFFAOYSA-N
XLogP-0.04
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
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-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
N-(3,3-dimethylcyclopentyl)-2-[5-(furan-2-yl)tetrazol-2-yl]acetamide
CID 115882489
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-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
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-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630776
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 115643437) is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is O=C(Cn1nnc(-c2ccco2)n1)NCC1(O)CCC1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is HMCKFFFTOZHWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c18-10(13-8-12(19)4-2-5-12)7-17-15-11(14-16-17)9-3-1-6-20-9/h1,3,6,19H,2,4-5,7-8H2,(H,13,18).
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 277.28 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 115643437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).