(1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine

C15H15F3N4O — CID 155585306

IUPAC(1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine
SMILESC/C(N)=C/C=C(\N)Nc1nc(-c2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C15H15F3N4O/c1-9(19)2-7-13(20)22-14-21-12(8-23-14)10-3-5-11(6-4-10)15(16,17)18/h2-8H,19-20H2,1H3,(H,21,22)/b9-2-,13-7+
InChIKeySWXDWYVKHLFOIY-LEFZJWHXSA-N
MW324.31 g/mol
LogP3.43
Rot. Bonds4

About (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine (PubChem CID 155585306) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine
PubChem CID155585306
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name(1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine
SMILESC/C(N)=C/C=C(\N)Nc1nc(-c2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C15H15F3N4O/c1-9(19)2-7-13(20)22-14-21-12(8-23-14)10-3-5-11(6-4-10)15(16,17)18/h2-8H,19-20H2,1H3,(H,21,22)/b9-2-,13-7+
InChIKeySWXDWYVKHLFOIY-LEFZJWHXSA-N
XLogP3.43
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate
CID 156694299
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723
4-[4-(trifluoromethyl)phenyl]oxadiazole
CID 67316276
[(1S)-1-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] methanesulfonate
CID 86718618
3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61336288
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
(1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine
CID 145074856
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 19375948
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
methyl 6-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 67072130

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine (CID 155585306) is (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine is C/C(N)=C/C=C(\N)Nc1nc(-c2ccc(C(F)(F)F)cc2)co1.
What is the InChIKey of (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine?
The InChIKey is SWXDWYVKHLFOIY-LEFZJWHXSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-9(19)2-7-13(20)22-14-21-12(8-23-14)10-3-5-11(6-4-10)15(16,17)18/h2-8H,19-20H2,1H3,(H,21,22)/b9-2-,13-7+.
What are the key properties of (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine has a molecular weight of 324.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 155585306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).