1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone

C19H25N5O3 — CID 163313170

IUPAC1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCC1(O)CCOC2(CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)C1
InChIInChI=1S/C19H25N5O3/c1-18(26)9-12-27-19(14-18)7-10-23(11-8-19)16(25)13-24-21-17(20-22-24)15-5-3-2-4-6-15/h2-6,26H,7-14H2,1H3
InChIKeyBGGDHXCVRAOXTQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.26
Rot. Bonds3

About 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 163313170) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID163313170
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCC1(O)CCOC2(CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)C1
InChIInChI=1S/C19H25N5O3/c1-18(26)9-12-27-19(14-18)7-10-23(11-8-19)16(25)13-24-21-17(20-22-24)15-5-3-2-4-6-15/h2-6,26H,7-14H2,1H3
InChIKeyBGGDHXCVRAOXTQ-UHFFFAOYSA-N
XLogP1.26
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one
CID 164689718
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 163308760
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 164688171
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 135096486
N-[(3R,4S)-9-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 110164252
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
N-[(3R,4S)-9-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110164227
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
N-[(3R,4S)-9-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 110164303
1-[4-[2-(benzotriazol-2-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131932589
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 163313170) is 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone is CC1(O)CCOC2(CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)C1.
What is the InChIKey of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is BGGDHXCVRAOXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-18(26)9-12-27-19(14-18)7-10-23(11-8-19)16(25)13-24-21-17(20-22-24)15-5-3-2-4-6-15/h2-6,26H,7-14H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 371.44 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 163313170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).