4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

C13H13F3N2O — CID 79412634

IUPAC4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O/c1-2-3-10-11(19-18-12(10)17)8-4-6-9(7-5-8)13(14,15)16/h4-7H,2-3H2,1H3,(H2,17,18)
InChIKeyVRPNVMHFHOQSNE-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.90
Rot. Bonds3

About 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 79412634) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID79412634
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O/c1-2-3-10-11(19-18-12(10)17)8-4-6-9(7-5-8)13(14,15)16/h4-7H,2-3H2,1H3,(H2,17,18)
InChIKeyVRPNVMHFHOQSNE-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113396074
4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde
CID 162550853
5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79413104
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131866937
5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412173
5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690685
5-(5-chlorofuran-2-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690686
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 107954850
4-ethyl-5-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66199437

Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (CID 79412634) is 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is VRPNVMHFHOQSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-2-3-10-11(19-18-12(10)17)8-4-6-9(7-5-8)13(14,15)16/h4-7H,2-3H2,1H3,(H2,17,18).
What are the key properties of 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 270.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 79412634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).