1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H17F3N4O2 — CID 166239535

IUPAC1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H17F3N4O2/c1-10-13(15-24-16(25-27-15)17(22)7-2-3-8-17)23-14(26-10)11-5-4-6-12(9-11)18(19,20)21/h4-6,9H,2-3,7-8,22H2,1H3
InChIKeyZYEBXEMCTNSWKO-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.45
Rot. Bonds3

About 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 166239535) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID166239535
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H17F3N4O2/c1-10-13(15-24-16(25-27-15)17(22)7-2-3-8-17)23-14(26-10)11-5-4-6-12(9-11)18(19,20)21/h4-6,9H,2-3,7-8,22H2,1H3
InChIKeyZYEBXEMCTNSWKO-UHFFFAOYSA-N
XLogP4.45
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852897
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851440
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857385
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850426
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-[3-(methylsulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860209
1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850455

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 166239535) is 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is ZYEBXEMCTNSWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-10-13(15-24-16(25-27-15)17(22)7-2-3-8-17)23-14(26-10)11-5-4-6-12(9-11)18(19,20)21/h4-6,9H,2-3,7-8,22H2,1H3.
What are the key properties of 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 378.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 166239535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).