1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C17H22N6O2 — CID 126945827

IUPAC1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(Cc3noc4c3CCCC4)C2)c1
InChIInChI=1S/C17H22N6O2/c24-17-18-5-6-22(17)12-7-19-23(10-12)13-8-21(9-13)11-15-14-3-1-2-4-16(14)25-20-15/h7,10,13H,1-6,8-9,11H2,(H,18,24)
InChIKeyLMCUIHDKUOPDPC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.34
Rot. Bonds4

About 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945827) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126945827
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(Cc3noc4c3CCCC4)C2)c1
InChIInChI=1S/C17H22N6O2/c24-17-18-5-6-22(17)12-7-19-23(10-12)13-8-21(9-13)11-15-14-3-1-2-4-16(14)25-20-15/h7,10,13H,1-6,8-9,11H2,(H,18,24)
InChIKeyLMCUIHDKUOPDPC-UHFFFAOYSA-N
XLogP1.34
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[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-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945908
1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945832
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 126900333
1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948066
7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one
CID 126945776
1-[1-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945833
1-[1-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945804
1-[1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945835
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945790
1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945927

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945827) is 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is O=C1NCCN1c1cnn(C2CN(Cc3noc4c3CCCC4)C2)c1.
What is the InChIKey of 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is LMCUIHDKUOPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-17-18-5-6-22(17)12-7-19-23(10-12)13-8-21(9-13)11-15-14-3-1-2-4-16(14)25-20-15/h7,10,13H,1-6,8-9,11H2,(H,18,24).
What are the key properties of 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).