4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one

C18H28N6O3 — CID 126948772

IUPAC4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
SMILESCN1CCN(c2cnn(C3CCN(CCN4CCOCCC4=O)C3)c2)C1=O
InChIInChI=1S/C18H28N6O3/c1-20-5-8-23(18(20)26)16-12-19-24(14-16)15-2-4-21(13-15)6-7-22-9-11-27-10-3-17(22)25/h12,14-15H,2-11,13H2,1H3
InChIKeyGYSHZAFMYZIMBE-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.25
Rot. Bonds5

About 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one

4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one (PubChem CID 126948772) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
PubChem CID126948772
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
SMILESCN1CCN(c2cnn(C3CCN(CCN4CCOCCC4=O)C3)c2)C1=O
InChIInChI=1S/C18H28N6O3/c1-20-5-8-23(18(20)26)16-12-19-24(14-16)15-2-4-21(13-15)6-7-22-9-11-27-10-3-17(22)25/h12,14-15H,2-11,13H2,1H3
InChIKeyGYSHZAFMYZIMBE-UHFFFAOYSA-N
XLogP0.25
TPSA74.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946224
4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
CID 126946213
1-[1-[1-(cyclopentylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946275
1-[1-[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948742
1-methyl-3-[1-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948754
1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948760
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948759
1-methyl-3-[1-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948640
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948734
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
The IUPAC name of 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one (CID 126948772) is 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
The canonical SMILES for 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one is CN1CCN(c2cnn(C3CCN(CCN4CCOCCC4=O)C3)c2)C1=O.
What is the InChIKey of 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
The InChIKey is GYSHZAFMYZIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-20-5-8-23(18(20)26)16-12-19-24(14-16)15-2-4-21(13-15)6-7-22-9-11-27-10-3-17(22)25/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one has a molecular weight of 376.46 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one is sourced from PubChem (CID 126948772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).