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

C26H30N4O5 — CID 167218626

IUPACN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CCOCC1
InChIInChI=1S/C26H30N4O5/c1-17(31)28-22-6-5-18(15-24(22)34-19-7-13-33-14-8-19)20-3-2-4-21(26(20)32)23-16-25(29-35-23)30-11-9-27-10-12-30/h2-6,15-16,19,27,32H,7-14H2,1H3,(H,28,31)
InChIKeyVRDSDLQIOYGZHZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.64
Rot. Bonds6

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

N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide (PubChem CID 167218626) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide
PubChem CID167218626
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC NameN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CCOCC1
InChIInChI=1S/C26H30N4O5/c1-17(31)28-22-6-5-18(15-24(22)34-19-7-13-33-14-8-19)20-3-2-4-21(26(20)32)23-16-25(29-35-23)30-11-9-27-10-12-30/h2-6,15-16,19,27,32H,7-14H2,1H3,(H,28,31)
InChIKeyVRDSDLQIOYGZHZ-UHFFFAOYSA-N
XLogP3.64
TPSA109.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide (CID 167218626) is N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CCOCC1.
What is the InChIKey of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide?
The InChIKey is VRDSDLQIOYGZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-17(31)28-22-6-5-18(15-24(22)34-19-7-13-33-14-8-19)20-3-2-4-21(26(20)32)23-16-25(29-35-23)30-11-9-27-10-12-30/h2-6,15-16,19,27,32H,7-14H2,1H3,(H,28,31).
What are the key properties of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide?
N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(oxan-4-yloxy)phenyl]acetamide is sourced from PubChem (CID 167218626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).