3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride

C16H18ClF3N4O2 — CID 119767466

IUPAC3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C16H17F3N4O2.ClH/c17-16(18,19)15-22-13(23-25-15)9-4-6-12(7-5-9)21-14(24)10-2-1-3-11(20)8-10;/h4-7,10-11H,1-3,8,20H2,(H,21,24);1H
InChIKeyYXGODQJURUUDJO-UHFFFAOYSA-N
MW390.79 g/mol
LogP3.63
Rot. Bonds3

About 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119767466) has the molecular formula C16H18ClF3N4O2 and a molecular weight of 390.79 g/mol. Its IUPAC name is 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119767466
Molecular FormulaC16H18ClF3N4O2
Molecular Weight390.79 g/mol
Exact Mass390.11
IUPAC Name3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C16H17F3N4O2.ClH/c17-16(18,19)15-22-13(23-25-15)9-4-6-12(7-5-9)21-14(24)10-2-1-3-11(20)8-10;/h4-7,10-11H,1-3,8,20H2,(H,21,24);1H
InChIKeyYXGODQJURUUDJO-UHFFFAOYSA-N
XLogP3.63
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide
CID 119767467
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide
CID 119314187
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
CID 151555059
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119762129
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-2-carboxamide
CID 119314167
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119399799

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119767466) is 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YXGODQJURUUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2.ClH/c17-16(18,19)15-22-13(23-25-15)9-4-6-12(7-5-9)21-14(24)10-2-1-3-11(20)8-10;/h4-7,10-11H,1-3,8,20H2,(H,21,24);1H.
What are the key properties of 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 390.79 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119767466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).