2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide

C22H21FN4O4 — CID 46970344

IUPAC2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
SMILESCn1c(=O)oc2cc(NC(=O)CN3CCC(c4noc5cc(F)ccc45)CC3)ccc21
InChIInChI=1S/C22H21FN4O4/c1-26-17-5-3-15(11-19(17)30-22(26)29)24-20(28)12-27-8-6-13(7-9-27)21-16-4-2-14(23)10-18(16)31-25-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,28)
InChIKeyLKOQESDZXSJBDW-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide

2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide (PubChem CID 46970344) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
PubChem CID46970344
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
SMILESCn1c(=O)oc2cc(NC(=O)CN3CCC(c4noc5cc(F)ccc45)CC3)ccc21
InChIInChI=1S/C22H21FN4O4/c1-26-17-5-3-15(11-19(17)30-22(26)29)24-20(28)12-27-8-6-13(7-9-27)21-16-4-2-14(23)10-18(16)31-25-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,28)
InChIKeyLKOQESDZXSJBDW-UHFFFAOYSA-N
XLogP3.23
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
CID 15391752
4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 127040486
N-[3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-4-methoxyphenyl]acetamide
CID 10343244
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
6-fluoro-3-[1-(4-pyrrol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322820
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 25206209
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779
6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
N-(4-chlorophenyl)-4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidine-1-carboxamide
CID 127040790
(E)-but-2-enedioic acid;bis(N-[3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-4-methoxyphenyl]acetamide)
CID 131718778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide (CID 46970344) is 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide is Cn1c(=O)oc2cc(NC(=O)CN3CCC(c4noc5cc(F)ccc45)CC3)ccc21.
What is the InChIKey of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is LKOQESDZXSJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4/c1-26-17-5-3-15(11-19(17)30-22(26)29)24-20(28)12-27-8-6-13(7-9-27)21-16-4-2-14(23)10-18(16)31-25-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,28).
What are the key properties of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 424.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 46970344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).