4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one

C17H20N2O4 — CID 89475510

IUPAC4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1CCC[C@@H](C(=O)N2C(=O)OCC2Cc2ccccc2)CN1
InChIInChI=1S/C17H20N2O4/c20-15-8-4-7-13(10-18-15)16(21)19-14(11-23-17(19)22)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,20)/t13-,14?/m1/s1
InChIKeyDWXAUHOJGUPRQB-KWCCSABGSA-N
MW316.36 g/mol
LogP1.49
Rot. Bonds3

About 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 89475510) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID89475510
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1CCC[C@@H](C(=O)N2C(=O)OCC2Cc2ccccc2)CN1
InChIInChI=1S/C17H20N2O4/c20-15-8-4-7-13(10-18-15)16(21)19-14(11-23-17(19)22)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,20)/t13-,14?/m1/s1
InChIKeyDWXAUHOJGUPRQB-KWCCSABGSA-N
XLogP1.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-benzyl-3-[(1S)-3-methylidenecyclopentanecarbonyl]-1,3-oxazolidin-2-one
CID 142165952
(4S)-4-benzyl-3-[(3S)-1-benzylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 142014992
4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
CID 160514416
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 142338207
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-3-(4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalene-2-carbonyl)-4-benzyl-1,3-oxazolidin-2-one
CID 154708798
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one (CID 89475510) is 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one is O=C1CCC[C@@H](C(=O)N2C(=O)OCC2Cc2ccccc2)CN1.
What is the InChIKey of 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is DWXAUHOJGUPRQB-KWCCSABGSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-8-4-7-13(10-18-15)16(21)19-14(11-23-17(19)22)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,20)/t13-,14?/m1/s1.
What are the key properties of 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89475510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).