N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide

C13H15N5O2 — CID 111445767

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C13H15N5O2/c19-12(14-8-13(20)6-3-7-13)10-4-1-2-5-11(10)18-9-15-16-17-18/h1-2,4-5,9,20H,3,6-8H2,(H,14,19)
InChIKeyVVJMKUFOPRYDLS-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.31
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide

N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 111445767) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID111445767
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C13H15N5O2/c19-12(14-8-13(20)6-3-7-13)10-4-1-2-5-11(10)18-9-15-16-17-18/h1-2,4-5,9,20H,3,6-8H2,(H,14,19)
InChIKeyVVJMKUFOPRYDLS-UHFFFAOYSA-N
XLogP0.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544922
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55356927
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-(2-methylcyclohexyl)-2-(tetrazol-1-yl)benzamide
CID 78789651
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[2-(aminomethyl)cyclopentyl]-2-(tetrazol-1-yl)benzamide
CID 119602087
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 111445767) is N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide is O=C(NCC1(O)CCC1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is VVJMKUFOPRYDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12(14-8-13(20)6-3-7-13)10-4-1-2-5-11(10)18-9-15-16-17-18/h1-2,4-5,9,20H,3,6-8H2,(H,14,19).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 273.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 111445767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).