N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

C24H25FN4O4 — CID 166166195

IUPACN-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1c(F)cc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CC1
InChIInChI=1S/C24H25FN4O4/c1-14(30)27-23-19(25)11-15(12-21(23)32-16-5-6-16)17-3-2-4-18(24(17)31)20-13-22(28-33-20)29-9-7-26-8-10-29/h2-4,11-13,16,26,31H,5-10H2,1H3,(H,27,30)
InChIKeyUTJUTXKUKALJAU-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.76
Rot. Bonds6

About N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166166195) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166166195
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1c(F)cc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CC1
InChIInChI=1S/C24H25FN4O4/c1-14(30)27-23-19(25)11-15(12-21(23)32-16-5-6-16)17-3-2-4-18(24(17)31)20-13-22(28-33-20)29-9-7-26-8-10-29/h2-4,11-13,16,26,31H,5-10H2,1H3,(H,27,30)
InChIKeyUTJUTXKUKALJAU-UHFFFAOYSA-N
XLogP3.76
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (CID 166166195) is N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is CC(=O)Nc1c(F)cc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CC1.
What is the InChIKey of N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is UTJUTXKUKALJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-14(30)27-23-19(25)11-15(12-21(23)32-16-5-6-16)17-3-2-4-18(24(17)31)20-13-22(28-33-20)29-9-7-26-8-10-29/h2-4,11-13,16,26,31H,5-10H2,1H3,(H,27,30).
What are the key properties of N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 452.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166166195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).