N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride

C13H13ClF3N3O3 — CID 119749017

IUPACN-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)C1CNCCO1
InChIInChI=1S/C13H12F3N3O3.ClH/c14-13(15,16)12-19-8-5-7(1-2-9(8)22-12)18-11(20)10-6-17-3-4-21-10;/h1-2,5,10,17H,3-4,6H2,(H,18,20);1H
InChIKeyCOOYKNQGAYSEPJ-UHFFFAOYSA-N
MW351.71 g/mol
LogP2.20
Rot. Bonds2

About N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride

N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119749017) has the molecular formula C13H13ClF3N3O3 and a molecular weight of 351.71 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119749017
Molecular FormulaC13H13ClF3N3O3
Molecular Weight351.71 g/mol
Exact Mass351.06
IUPAC NameN-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)C1CNCCO1
InChIInChI=1S/C13H12F3N3O3.ClH/c14-13(15,16)12-19-8-5-7(1-2-9(8)22-12)18-11(20)10-6-17-3-4-21-10;/h1-2,5,10,17H,3-4,6H2,(H,18,20);1H
InChIKeyCOOYKNQGAYSEPJ-UHFFFAOYSA-N
XLogP2.20
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
CID 119303401
N-(2-oxochromen-6-yl)morpholine-2-carboxamide
CID 119743887
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 120927738
N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119698644
N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
CID 119735663
1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119748977
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide
CID 119768162
cis-(1R,3S)-2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065416
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride (CID 119749017) is N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)C1CNCCO1.
What is the InChIKey of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is COOYKNQGAYSEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3.ClH/c14-13(15,16)12-19-8-5-7(1-2-9(8)22-12)18-11(20)10-6-17-3-4-21-10;/h1-2,5,10,17H,3-4,6H2,(H,18,20);1H.
What are the key properties of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride?
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119749017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).