(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C17H22N6O3 — CID 97286410

IUPAC(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1nnnn1-c1ccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CO3)cc1
InChIInChI=1S/C17H22N6O3/c1-12-19-20-21-23(12)14-4-2-13(3-5-14)18-16(25)22-8-6-17(7-9-22)10-15(24)11-26-17/h2-5,15,24H,6-11H2,1H3,(H,18,25)/t15-/m1/s1
InChIKeyXXGLHBJSIZBDJI-OAHLLOKOSA-N
MW358.40 g/mol
LogP1.12
Rot. Bonds2

About (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 97286410) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID97286410
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1nnnn1-c1ccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CO3)cc1
InChIInChI=1S/C17H22N6O3/c1-12-19-20-21-23(12)14-4-2-13(3-5-14)18-16(25)22-8-6-17(7-9-22)10-15(24)11-26-17/h2-5,15,24H,6-11H2,1H3,(H,18,25)/t15-/m1/s1
InChIKeyXXGLHBJSIZBDJI-OAHLLOKOSA-N
XLogP1.12
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 118761754
(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)-N-[4-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 72929298
(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97282135
(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97285803
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344
1-[2-(dimethylamino)ethyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97445258
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 55697965
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 97286410) is (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is Cc1nnnn1-c1ccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CO3)cc1.
What is the InChIKey of (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is XXGLHBJSIZBDJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12-19-20-21-23(12)14-4-2-13(3-5-14)18-16(25)22-8-6-17(7-9-22)10-15(24)11-26-17/h2-5,15,24H,6-11H2,1H3,(H,18,25)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97286410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).