N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide

C24H27FN4O3 — CID 166166848

IUPACN-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C(C)C)CC4)no3)c2O)cc1F
InChIInChI=1S/C24H27FN4O3/c1-15(2)28-9-11-29(12-10-28)23-14-22(32-27-23)19-6-4-5-18(24(19)31)17-7-8-21(20(25)13-17)26-16(3)30/h4-8,13-15,31H,9-12H2,1-3H3,(H,26,30)
InChIKeyQWYSNTMEEMJDPZ-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.34
Rot. Bonds5

About N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide (PubChem CID 166166848) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide
PubChem CID166166848
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C(C)C)CC4)no3)c2O)cc1F
InChIInChI=1S/C24H27FN4O3/c1-15(2)28-9-11-29(12-10-28)23-14-22(32-27-23)19-6-4-5-18(24(19)31)17-7-8-21(20(25)13-17)26-16(3)30/h4-8,13-15,31H,9-12H2,1-3H3,(H,26,30)
InChIKeyQWYSNTMEEMJDPZ-UHFFFAOYSA-N
XLogP4.34
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide (CID 166166848) is N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C(C)C)CC4)no3)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
The InChIKey is QWYSNTMEEMJDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-15(2)28-9-11-29(12-10-28)23-14-22(32-27-23)19-6-4-5-18(24(19)31)17-7-8-21(20(25)13-17)26-16(3)30/h4-8,13-15,31H,9-12H2,1-3H3,(H,26,30).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide has a molecular weight of 438.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-[3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazol-5-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 166166848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).