2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone

C19H25N3O4 — CID 110646491

IUPAC2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C19H25N3O4/c1-15-12-16(20-26-15)13-21-8-5-9-22(11-10-21)19(23)14-25-18-7-4-3-6-17(18)24-2/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3
InChIKeyREKGOFWHRMXPQZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.10
Rot. Bonds6

About 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 110646491) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID110646491
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C19H25N3O4/c1-15-12-16(20-26-15)13-21-8-5-9-22(11-10-21)19(23)14-25-18-7-4-3-6-17(18)24-2/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3
InChIKeyREKGOFWHRMXPQZ-UHFFFAOYSA-N
XLogP2.10
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110646485
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236
2-(3,4-dimethoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 110646397
1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 108547925
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(4-fluorophenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110423065
2-(2-methoxyphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30086333
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
(3-ethoxy-4-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86908243
2-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide
CID 23853459
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone (CID 110646491) is 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone is COc1ccccc1OCC(=O)N1CCCN(Cc2cc(C)on2)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is REKGOFWHRMXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-15-12-16(20-26-15)13-21-8-5-9-22(11-10-21)19(23)14-25-18-7-4-3-6-17(18)24-2/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 110646491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).