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

C12H11ClF3N3O2 — CID 119748977

IUPAC1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1
InChIInChI=1S/C12H10F3N3O2.ClH/c13-12(14,15)10-18-7-5-6(1-2-8(7)20-10)17-9(19)11(16)3-4-11;/h1-2,5H,3-4,16H2,(H,17,19);1H
InChIKeyLWQYGDNDFOVZES-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.70
Rot. Bonds2

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

1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119748977) has the molecular formula C12H11ClF3N3O2 and a molecular weight of 321.69 g/mol. Its IUPAC name is 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119748977
Molecular FormulaC12H11ClF3N3O2
Molecular Weight321.69 g/mol
Exact Mass321.05
IUPAC Name1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1
InChIInChI=1S/C12H10F3N3O2.ClH/c13-12(14,15)10-18-7-5-6(1-2-8(7)20-10)17-9(19)11(16)3-4-11;/h1-2,5H,3-4,16H2,(H,17,19);1H
InChIKeyLWQYGDNDFOVZES-UHFFFAOYSA-N
XLogP2.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]oxane-4-carboxamide
CID 120927737
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
cis-(1R,3S)-2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065416
7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
CID 119748980
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
CID 119303401
2-hydroxy-2-methyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoylamino]propanoic acid
CID 122078541
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
CID 119749017
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]butanamide
CID 119303399
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 75494987

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride (CID 119748977) is 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1.
What is the InChIKey of 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LWQYGDNDFOVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2.ClH/c13-12(14,15)10-18-7-5-6(1-2-8(7)20-10)17-9(19)11(16)3-4-11;/h1-2,5H,3-4,16H2,(H,17,19);1H.
What are the key properties of 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 321.69 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119748977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).