N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

C22H22F2N4O4 — CID 166166757

IUPACN-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC(F)F
InChIInChI=1S/C22H22F2N4O4/c1-13(29)26-17-6-5-14(11-19(17)31-22(23)24)15-3-2-4-16(21(15)30)18-12-20(27-32-18)28-9-7-25-8-10-28/h2-6,11-12,22,25,30H,7-10H2,1H3,(H,26,29)
InChIKeySWPLUEKOSQDFGJ-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166166757) has the molecular formula C22H22F2N4O4 and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166166757
Molecular FormulaC22H22F2N4O4
Molecular Weight444.44 g/mol
Exact Mass444.16
IUPAC NameN-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC(F)F
InChIInChI=1S/C22H22F2N4O4/c1-13(29)26-17-6-5-14(11-19(17)31-22(23)24)15-3-2-4-16(21(15)30)18-12-20(27-32-18)28-9-7-25-8-10-28/h2-6,11-12,22,25,30H,7-10H2,1H3,(H,26,29)
InChIKeySWPLUEKOSQDFGJ-UHFFFAOYSA-N
XLogP3.68
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (CID 166166757) is N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is SWPLUEKOSQDFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O4/c1-13(29)26-17-6-5-14(11-19(17)31-22(23)24)15-3-2-4-16(21(15)30)18-12-20(27-32-18)28-9-7-25-8-10-28/h2-6,11-12,22,25,30H,7-10H2,1H3,(H,26,29).
What are the key properties of N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 444.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166166757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).