(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H18N6O3 — CID 95719140

IUPAC(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1nnnn1-c1cccc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c1
InChIInChI=1S/C16H18N6O3/c1-11-18-19-20-22(11)13-5-2-4-12(8-13)14(23)21-7-3-6-16(10-21)9-17-15(24)25-16/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,17,24)/t16-/m1/s1
InChIKeyMPTYTVWFXJZXEE-MRXNPFEDSA-N
MW342.36 g/mol
LogP0.69
Rot. Bonds2

About (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95719140) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95719140
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1nnnn1-c1cccc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c1
InChIInChI=1S/C16H18N6O3/c1-11-18-19-20-22(11)13-5-2-4-12(8-13)14(23)21-7-3-6-16(10-21)9-17-15(24)25-16/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,17,24)/t16-/m1/s1
InChIKeyMPTYTVWFXJZXEE-MRXNPFEDSA-N
XLogP0.69
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97118767
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 71709137
9-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56908215
9-[3-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 170511647
9-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77095524
(5R)-9-(2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95714799
(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590
9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080948
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 99930369
9-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56911018
(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716081

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95719140) is (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c1.
What is the InChIKey of (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is MPTYTVWFXJZXEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-11-18-19-20-22(11)13-5-2-4-12(8-13)14(23)21-7-3-6-16(10-21)9-17-15(24)25-16/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,17,24)/t16-/m1/s1.
What are the key properties of (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 342.36 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95719140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).