(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C23H24N4O4 — CID 91912523

IUPAC(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2CC(c3nnc(-c4ccncc4)o3)C3(CCOCC3)C2)c1
InChIInChI=1S/C23H24N4O4/c1-29-18-4-2-3-17(13-18)22(28)27-14-19(23(15-27)7-11-30-12-8-23)21-26-25-20(31-21)16-5-9-24-10-6-16/h2-6,9-10,13,19H,7-8,11-12,14-15H2,1H3
InChIKeyBWPKIQNJHZRCMC-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.18
Rot. Bonds4

About (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912523) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912523
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2CC(c3nnc(-c4ccncc4)o3)C3(CCOCC3)C2)c1
InChIInChI=1S/C23H24N4O4/c1-29-18-4-2-3-17(13-18)22(28)27-14-19(23(15-27)7-11-30-12-8-23)21-26-25-20(31-21)16-5-9-24-10-6-16/h2-6,9-10,13,19H,7-8,11-12,14-15H2,1H3
InChIKeyBWPKIQNJHZRCMC-UHFFFAOYSA-N
XLogP3.18
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone with MolForge

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Related Compounds

2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 91924722
(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912387
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
CID 91912379
4-phenyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 91912436
N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 91924683
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
CID 91912389
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone
CID 91924656
2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 91924642
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-phenylpropan-1-one
CID 91912405
N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881364

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912523) is (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is COc1cccc(C(=O)N2CC(c3nnc(-c4ccncc4)o3)C3(CCOCC3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is BWPKIQNJHZRCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-29-18-4-2-3-17(13-18)22(28)27-14-19(23(15-27)7-11-30-12-8-23)21-26-25-20(31-21)16-5-9-24-10-6-16/h2-6,9-10,13,19H,7-8,11-12,14-15H2,1H3.
What are the key properties of (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 420.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91912523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).