1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C18H24N6O2 — CID 126948759

IUPAC1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(Cc4noc5c4CCC5)C3)c2)C1=O
InChIInChI=1S/C18H24N6O2/c1-21-7-8-23(18(21)25)14-9-19-24(11-14)13-5-6-22(10-13)12-16-15-3-2-4-17(15)26-20-16/h9,11,13H,2-8,10,12H2,1H3
InChIKeyMTJBDDYIDMIWQE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.68
Rot. Bonds4

About 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126948759) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126948759
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(Cc4noc5c4CCC5)C3)c2)C1=O
InChIInChI=1S/C18H24N6O2/c1-21-7-8-23(18(21)25)14-9-19-24(11-14)13-5-6-22(10-13)12-16-15-3-2-4-17(15)26-20-16/h9,11,13H,2-8,10,12H2,1H3
InChIKeyMTJBDDYIDMIWQE-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one with MolForge

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Related Compounds

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-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948066
1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945827
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-methyl-3-[1-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948640
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-[1-[1-(cyclopentylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946275
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948716
4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126948772
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 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) is 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cnn(C3CCN(Cc4noc5c4CCC5)C3)c2)C1=O.
What is the InChIKey of 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is MTJBDDYIDMIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-21-7-8-23(18(21)25)14-9-19-24(11-14)13-5-6-22(10-13)12-16-15-3-2-4-17(15)26-20-16/h9,11,13H,2-8,10,12H2,1H3.
What are the key properties of 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126948759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).