1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one

C24H27FN4O3 — CID 18663209

IUPAC1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(CCN3CCC(c4noc5cc(F)ccc45)CC3)C2=O)cc1
InChIInChI=1S/C24H27FN4O3/c1-31-20-5-3-19(4-6-20)29-15-14-28(24(29)30)13-12-27-10-8-17(9-11-27)23-21-7-2-18(25)16-22(21)32-26-23/h2-7,16-17H,8-15H2,1H3
InChIKeyAROAATZMISNJLB-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.10
Rot. Bonds6

About 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one

1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one (PubChem CID 18663209) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one
PubChem CID18663209
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(CCN3CCC(c4noc5cc(F)ccc45)CC3)C2=O)cc1
InChIInChI=1S/C24H27FN4O3/c1-31-20-5-3-19(4-6-20)29-15-14-28(24(29)30)13-12-27-10-8-17(9-11-27)23-21-7-2-18(25)16-22(21)32-26-23/h2-7,16-17H,8-15H2,1H3
InChIKeyAROAATZMISNJLB-UHFFFAOYSA-N
XLogP4.10
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-[1-[2-(7-methoxynaphthalen-2-yl)oxyethyl]piperidin-4-yl]-1,2-benzoxazole
CID 70244236
2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 170960894
3-[1-[3-(2,5-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 18467222
[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 127042412
6-fluoro-3-[1-[3-[4-(methoxymethyl)phenoxy]propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140530485
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 14576394
3-[1-[3-(2,3-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 19599785
6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 163352050
[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] 4-methoxybenzoate
CID 68528338

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one (CID 18663209) is 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one is COc1ccc(N2CCN(CCN3CCC(c4noc5cc(F)ccc45)CC3)C2=O)cc1.
What is the InChIKey of 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is AROAATZMISNJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-31-20-5-3-19(4-6-20)29-15-14-28(24(29)30)13-12-27-10-8-17(9-11-27)23-21-7-2-18(25)16-22(21)32-26-23/h2-7,16-17H,8-15H2,1H3.
What are the key properties of 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 438.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 18663209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).