(1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol

C17H23N5O3 — CID 167789226

IUPAC(1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol
SMILESCOc1ccc(Cn2nnnc2N[C@@H]2C[C@@H](O)C23CCOCC3)cc1
InChIInChI=1S/C17H23N5O3/c1-24-13-4-2-12(3-5-13)11-22-16(19-20-21-22)18-14-10-15(23)17(14)6-8-25-9-7-17/h2-5,14-15,23H,6-11H2,1H3,(H,18,19,21)/t14-,15-/m1/s1
InChIKeyVIORKEBQUAJHIX-HUUCEWRRSA-N
MW345.40 g/mol
LogP1.07
Rot. Bonds5

About (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol

(1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol (PubChem CID 167789226) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name(1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol
PubChem CID167789226
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol
SMILESCOc1ccc(Cn2nnnc2N[C@@H]2C[C@@H](O)C23CCOCC3)cc1
InChIInChI=1S/C17H23N5O3/c1-24-13-4-2-12(3-5-13)11-22-16(19-20-21-22)18-14-10-15(23)17(14)6-8-25-9-7-17/h2-5,14-15,23H,6-11H2,1H3,(H,18,19,21)/t14-,15-/m1/s1
InChIKeyVIORKEBQUAJHIX-HUUCEWRRSA-N
XLogP1.07
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol with MolForge

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Related Compounds

(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol
CID 167870410
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
1-cyclopentyl-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine-1,4-diium
CID 7396682
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
methyl 3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propanoate
CID 69189007
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831
2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide
CID 139773748
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 51244716
1-(4-methoxyphenyl)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446788
N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 46640192
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7389259
5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23020046

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol?
The IUPAC name of (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol (CID 167789226) is (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol.
What is the SMILES notation for (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol?
The canonical SMILES for (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol is COc1ccc(Cn2nnnc2N[C@@H]2C[C@@H](O)C23CCOCC3)cc1.
What is the InChIKey of (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol?
The InChIKey is VIORKEBQUAJHIX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-24-13-4-2-12(3-5-13)11-22-16(19-20-21-22)18-14-10-15(23)17(14)6-8-25-9-7-17/h2-5,14-15,23H,6-11H2,1H3,(H,18,19,21)/t14-,15-/m1/s1.
What are the key properties of (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol?
(1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol has a molecular weight of 345.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 167789226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).