(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone

C20H25N3O5 — CID 75463255

IUPAC(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ncoc3C(C)C)CC2)c1OC
InChIInChI=1S/C20H25N3O5/c1-13(2)17-16(21-12-28-17)20(25)23-10-8-22(9-11-23)19(24)14-6-5-7-15(26-3)18(14)27-4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyYVEOOXIUOLWCHK-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.41
Rot. Bonds5

About (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 75463255) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID75463255
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ncoc3C(C)C)CC2)c1OC
InChIInChI=1S/C20H25N3O5/c1-13(2)17-16(21-12-28-17)20(25)23-10-8-22(9-11-23)19(24)14-6-5-7-15(26-3)18(14)27-4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyYVEOOXIUOLWCHK-UHFFFAOYSA-N
XLogP2.41
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

CID 163403651
CID 163403651
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1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-3-(2-methylphenyl)butan-1-one
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CID 6468657
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CID 91892334
[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 97316304
2-(4-amino-3-methyl-5-propan-2-ylphenoxy)-1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 127045601
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
1-(2,3-dimethoxybenzoyl)-1,4-diazepan-5-one
CID 60707925
3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 75468323
(3R)-3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319570

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone (CID 75463255) is (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ncoc3C(C)C)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YVEOOXIUOLWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-13(2)17-16(21-12-28-17)20(25)23-10-8-22(9-11-23)19(24)14-6-5-7-15(26-3)18(14)27-4/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 387.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75463255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).