1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one

C16H20N4O2 — CID 56815353

IUPAC1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C16H20N4O2/c21-16-17-7-10-20(16)12-5-8-19(9-6-12)11-15-18-13-3-1-2-4-14(13)22-15/h1-4,12H,5-11H2,(H,17,21)
InChIKeyFPJYGOYSGKYBAF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.82
Rot. Bonds3

About 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 56815353) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID56815353
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C16H20N4O2/c21-16-17-7-10-20(16)12-5-8-19(9-6-12)11-15-18-13-3-1-2-4-14(13)22-15/h1-4,12H,5-11H2,(H,17,21)
InChIKeyFPJYGOYSGKYBAF-UHFFFAOYSA-N
XLogP1.82
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one
CID 9348529
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 63873491
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-benzoxazole
CID 60917403
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
1-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 56815378
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-1,3-benzoxazole
CID 102682244
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one (CID 56815353) is 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(Cc2nc3ccccc3o2)CC1.
What is the InChIKey of 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is FPJYGOYSGKYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16-17-7-10-20(16)12-5-8-19(9-6-12)11-15-18-13-3-1-2-4-14(13)22-15/h1-4,12H,5-11H2,(H,17,21).
What are the key properties of 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56815353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).