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

C20H25N3O4 — CID 146068110

IUPAC(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)c1OC
InChIInChI=1S/C20H25N3O4/c1-13-8-21-18(27-13)15-9-22(2)10-20(15)11-23(12-20)19(24)14-6-5-7-16(25-3)17(14)26-4/h5-8,15H,9-12H2,1-4H3
InChIKeyBYMNEBJNWKAOSQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.17
Rot. Bonds4

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

(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (PubChem CID 146068110) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
PubChem CID146068110
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)c1OC
InChIInChI=1S/C20H25N3O4/c1-13-8-21-18(27-13)15-9-22(2)10-20(15)11-23(12-20)19(24)14-6-5-7-16(25-3)17(14)26-4/h5-8,15H,9-12H2,1-4H3
InChIKeyBYMNEBJNWKAOSQ-UHFFFAOYSA-N
XLogP2.17
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 90537355
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
(2,3-dimethoxyphenyl)-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116213
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
CID 163403651
CID 163403651
(2,3-dimethoxyphenyl)-[8-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]methanone
CID 155882265
(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 75463255
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
[4-(1-adamantyl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 6468657
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079432

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (CID 146068110) is (2,3-dimethoxyphenyl)-[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 (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is COc1cccc(C(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The InChIKey is BYMNEBJNWKAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-8-21-18(27-13)15-9-22(2)10-20(15)11-23(12-20)19(24)14-6-5-7-16(25-3)17(14)26-4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 146068110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).