3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C17H27N3O4 — CID 137339191

IUPAC3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CC1CCCC1)N1CCCN(C(=O)CN2CCOC2=O)CC1
InChIInChI=1S/C17H27N3O4/c21-15(12-14-4-1-2-5-14)18-6-3-7-19(9-8-18)16(22)13-20-10-11-24-17(20)23/h14H,1-13H2
InChIKeyMFTTXZCDCCLALH-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.08
Rot. Bonds4

About 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 137339191) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID137339191
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CC1CCCC1)N1CCCN(C(=O)CN2CCOC2=O)CC1
InChIInChI=1S/C17H27N3O4/c21-15(12-14-4-1-2-5-14)18-6-3-7-19(9-8-18)16(22)13-20-10-11-24-17(20)23/h14H,1-13H2
InChIKeyMFTTXZCDCCLALH-UHFFFAOYSA-N
XLogP1.08
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137336385
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
CID 71974035
3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 122334428
3-[2-oxo-2-[3-(2-phenylethyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 45215381
3-[2-[(5R)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97122102
3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 45253107
3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 42213904
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-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122343245
3-[2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 86286497
3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 24793036

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 137339191) is 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CC1CCCC1)N1CCCN(C(=O)CN2CCOC2=O)CC1.
What is the InChIKey of 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is MFTTXZCDCCLALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c21-15(12-14-4-1-2-5-14)18-6-3-7-19(9-8-18)16(22)13-20-10-11-24-17(20)23/h14H,1-13H2.
What are the key properties of 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 137339191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).