N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide

C17H21N5O2 — CID 124851841

IUPACN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@H]1COC2(CCCCC2)C1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H21N5O2/c23-16(13-4-6-15(7-5-13)22-12-18-20-21-22)19-14-10-17(24-11-14)8-2-1-3-9-17/h4-7,12,14H,1-3,8-11H2,(H,19,23)/t14-/m1/s1
InChIKeySZOYIHTVMSJRBX-CQSZACIVSA-N
MW327.39 g/mol
LogP1.88
Rot. Bonds3

About N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 124851841) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID124851841
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@H]1COC2(CCCCC2)C1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H21N5O2/c23-16(13-4-6-15(7-5-13)22-12-18-20-21-22)19-14-10-17(24-11-14)8-2-1-3-9-17/h4-7,12,14H,1-3,8-11H2,(H,19,23)/t14-/m1/s1
InChIKeySZOYIHTVMSJRBX-CQSZACIVSA-N
XLogP1.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
CID 56901358
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
CID 580173
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 119457998
N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97209452
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
N-(3-methylcyclopentyl)-4-(tetrazol-1-yl)benzamide
CID 114550130
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
CID 77091991
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide
CID 77094231
2-methyl-N-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-1-benzofuran-5-carboxamide
CID 97145621
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 126442472
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide (CID 124851841) is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide is O=C(N[C@H]1COC2(CCCCC2)C1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is SZOYIHTVMSJRBX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(13-4-6-15(7-5-13)22-12-18-20-21-22)19-14-10-17(24-11-14)8-2-1-3-9-17/h4-7,12,14H,1-3,8-11H2,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide?
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 327.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 124851841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).