N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide

C13H15N5O2 — CID 115878235

IUPACN-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H15N5O2/c19-8-13(6-1-7-13)14-12(20)10-4-2-9(3-5-10)11-15-17-18-16-11/h2-5,19H,1,6-8H2,(H,14,20)(H,15,16,17,18)
InChIKeyXXXQXGKCNDMWQN-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.51
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide

N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 115878235) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide
PubChem CID115878235
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H15N5O2/c19-8-13(6-1-7-13)14-12(20)10-4-2-9(3-5-10)11-15-17-18-16-11/h2-5,19H,1,6-8H2,(H,14,20)(H,15,16,17,18)
InChIKeyXXXQXGKCNDMWQN-UHFFFAOYSA-N
XLogP0.51
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
6-methyl-N-(1-prop-2-ynylcyclobutyl)-5-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 166311917
N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride
CID 154905256
1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119312969

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide (CID 115878235) is N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide is O=C(NC1(CO)CCC1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is XXXQXGKCNDMWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-8-13(6-1-7-13)14-12(20)10-4-2-9(3-5-10)11-15-17-18-16-11/h2-5,19H,1,6-8H2,(H,14,20)(H,15,16,17,18).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide?
N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 273.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 115878235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).