(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone

C20H25N3O3 — CID 146068115

IUPAC(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-13-7-15(25-4)5-6-16(13)19(24)23-11-20(12-23)10-22(3)9-17(20)18-21-8-14(2)26-18/h5-8,17H,9-12H2,1-4H3
InChIKeyFGDDKWATQNFJFT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.47
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone

(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (PubChem CID 146068115) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
PubChem CID146068115
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-13-7-15(25-4)5-6-16(13)19(24)23-11-20(12-23)10-22(3)9-17(20)18-21-8-14(2)26-18/h5-8,17H,9-12H2,1-4H3
InChIKeyFGDDKWATQNFJFT-UHFFFAOYSA-N
XLogP2.47
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068110
(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068114
N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 146070518
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111561506
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 125144744
(4-methoxy-2-methylphenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
CID 146071003
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 53134203
3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
(3R,4S)-1-(4-methoxy-2-methylbenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133114030

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (CID 146068115) is (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is COc1ccc(C(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The InChIKey is FGDDKWATQNFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-7-15(25-4)5-6-16(13)19(24)23-11-20(12-23)10-22(3)9-17(20)18-21-8-14(2)26-18/h5-8,17H,9-12H2,1-4H3.
What are the key properties of (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 146068115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).