N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine

C21H24N4O — CID 18439791

IUPACN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine
SMILESCN1CCN(Cc2ccc(Nc3ncc(-c4ccccc4)o3)cc2)CC1
InChIInChI=1S/C21H24N4O/c1-24-11-13-25(14-12-24)16-17-7-9-19(10-8-17)23-21-22-15-20(26-21)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,22,23)
InChIKeyYOZAPDVBJIMQAT-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.83
Rot. Bonds5

About N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine (PubChem CID 18439791) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine
PubChem CID18439791
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine
SMILESCN1CCN(Cc2ccc(Nc3ncc(-c4ccccc4)o3)cc2)CC1
InChIInChI=1S/C21H24N4O/c1-24-11-13-25(14-12-24)16-17-7-9-19(10-8-17)23-21-22-15-20(26-21)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,22,23)
InChIKeyYOZAPDVBJIMQAT-UHFFFAOYSA-N
XLogP3.83
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine (CID 18439791) is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine is CN1CCN(Cc2ccc(Nc3ncc(-c4ccccc4)o3)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is YOZAPDVBJIMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-11-13-25(14-12-24)16-17-7-9-19(10-8-17)23-21-22-15-20(26-21)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,22,23).
What are the key properties of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine?
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 348.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 18439791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).