3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C20H32N4O4 — CID 71687206

IUPAC3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCCN(C(=O)CCc3c(C)noc3C)CC2)C1=O
InChIInChI=1S/C20H32N4O4/c1-15-17(16(2)28-21-15)5-6-19(25)23-9-4-8-22(11-12-23)18-7-10-24(20(18)26)13-14-27-3/h18H,4-14H2,1-3H3
InChIKeyGCUZGHVRKJXFPX-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.01
Rot. Bonds7

About 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 71687206) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID71687206
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCCN(C(=O)CCc3c(C)noc3C)CC2)C1=O
InChIInChI=1S/C20H32N4O4/c1-15-17(16(2)28-21-15)5-6-19(25)23-9-4-8-22(11-12-23)18-7-10-24(20(18)26)13-14-27-3/h18H,4-14H2,1-3H3
InChIKeyGCUZGHVRKJXFPX-UHFFFAOYSA-N
XLogP1.01
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 71687206) is 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CCC(N2CCCN(C(=O)CCc3c(C)noc3C)CC2)C1=O.
What is the InChIKey of 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is GCUZGHVRKJXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-15-17(16(2)28-21-15)5-6-19(25)23-9-4-8-22(11-12-23)18-7-10-24(20(18)26)13-14-27-3/h18H,4-14H2,1-3H3.
What are the key properties of 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 71687206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).