3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C20H29N3O4 — CID 138806611

IUPAC3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(C)c(CN2CCCN(C(=O)CN3CCOC3=O)CC2)cc1C
InChIInChI=1S/C20H29N3O4/c1-15-12-18(26-3)16(2)11-17(15)13-21-5-4-6-22(8-7-21)19(24)14-23-9-10-27-20(23)25/h11-12H,4-10,13-14H2,1-3H3
InChIKeyLDOKBQGWUUNOHZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.80
Rot. Bonds5

About 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 138806611) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID138806611
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(C)c(CN2CCCN(C(=O)CN3CCOC3=O)CC2)cc1C
InChIInChI=1S/C20H29N3O4/c1-15-12-18(26-3)16(2)11-17(15)13-21-5-4-6-22(8-7-21)19(24)14-23-9-10-27-20(23)25/h11-12H,4-10,13-14H2,1-3H3
InChIKeyLDOKBQGWUUNOHZ-UHFFFAOYSA-N
XLogP1.80
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 137343940
3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137336385
2-chloro-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 4962199
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-(2-methylmorpholin-4-yl)ethanone
CID 24580217
1-[4-[2-(4-methoxy-2,5-dimethylphenyl)acetyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807420
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110806586
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191
ethyl 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809096
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 43030406
1-[2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55740316

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 138806611) is 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is COc1cc(C)c(CN2CCCN(C(=O)CN3CCOC3=O)CC2)cc1C.
What is the InChIKey of 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is LDOKBQGWUUNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15-12-18(26-3)16(2)11-17(15)13-21-5-4-6-22(8-7-21)19(24)14-23-9-10-27-20(23)25/h11-12H,4-10,13-14H2,1-3H3.
What are the key properties of 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138806611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).