5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine

C24H27F3N4O — CID 11711943

IUPAC5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C24H27F3N4O/c25-24(26,27)20-9-6-10-21(17-20)31-15-13-30(14-16-31)12-5-4-11-28-23-29-18-22(32-23)19-7-2-1-3-8-19/h1-3,6-10,17-18H,4-5,11-16H2,(H,28,29)
InChIKeyHXSZWCAHOHIEOA-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.37
Rot. Bonds8

About 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine

5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine (PubChem CID 11711943) has the molecular formula C24H27F3N4O and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine
PubChem CID11711943
Molecular FormulaC24H27F3N4O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C24H27F3N4O/c25-24(26,27)20-9-6-10-21(17-20)31-15-13-30(14-16-31)12-5-4-11-28-23-29-18-22(32-23)19-7-2-1-3-8-19/h1-3,6-10,17-18H,4-5,11-16H2,(H,28,29)
InChIKeyHXSZWCAHOHIEOA-UHFFFAOYSA-N
XLogP5.37
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,5-Diphenyl-2-oxazolamine
CID 5329404
2-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329843
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
3-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329845
3-(5-Phenyl-oxazol-2-ylamino)phenylmethanol
CID 5329847
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
N-(4-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329851
2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one
CID 11955840
N1-[5-(4-Trifluoromethylphenyl)oxazol-2-yl]-5,6,7,8-tetrahydronaphthalene-1,7-diamine
CID 11964241
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964255

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine (CID 11711943) is 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine is FC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1.
What is the InChIKey of 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine?
The InChIKey is HXSZWCAHOHIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O/c25-24(26,27)20-9-6-10-21(17-20)31-15-13-30(14-16-31)12-5-4-11-28-23-29-18-22(32-23)19-7-2-1-3-8-19/h1-3,6-10,17-18H,4-5,11-16H2,(H,28,29).
What are the key properties of 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine?
5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine has a molecular weight of 444.50 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 11711943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).