[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H21N5O2 — CID 97118767

IUPAC[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCC[C@]3(CCOC3)C2)c1
InChIInChI=1S/C17H21N5O2/c1-13-18-19-20-22(13)15-5-2-4-14(10-15)16(23)21-8-3-6-17(11-21)7-9-24-12-17/h2,4-5,10H,3,6-9,11-12H2,1H3/t17-/m0/s1
InChIKeyFDTGYARLTCQVDD-KRWDZBQOSA-N
MW327.39 g/mol
LogP1.61
Rot. Bonds2

About [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone

[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97118767) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97118767
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCC[C@]3(CCOC3)C2)c1
InChIInChI=1S/C17H21N5O2/c1-13-18-19-20-22(13)15-5-2-4-14(10-15)16(23)21-8-3-6-17(11-21)7-9-24-12-17/h2,4-5,10H,3,6-9,11-12H2,1H3/t17-/m0/s1
InChIKeyFDTGYARLTCQVDD-KRWDZBQOSA-N
XLogP1.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719140
(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 71709137
(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
CID 119813649
6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 72863190
[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97281209
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 99930369
(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128651253
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone
CID 97397952
[1-(3-chlorophenyl)pyrazol-4-yl]-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)methanone
CID 126775210
2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 72937033
3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 155874159

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97118767) is [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cc1nnnn1-c1cccc(C(=O)N2CCC[C@]3(CCOC3)C2)c1.
What is the InChIKey of [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is FDTGYARLTCQVDD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-18-19-20-22(13)15-5-2-4-14(10-15)16(23)21-8-3-6-17(11-21)7-9-24-12-17/h2,4-5,10H,3,6-9,11-12H2,1H3/t17-/m0/s1.
What are the key properties of [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 327.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97118767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).