[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride

C11H10ClF3N2O2 — CID 157332265

IUPAC[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccc(OC(F)(F)F)cc2)co1
InChIInChI=1S/C11H9F3N2O2.ClH/c12-11(13,14)18-8-3-1-7(2-4-8)9-6-17-10(5-15)16-9;/h1-4,6H,5,15H2;1H
InChIKeyYHYJDKKETUYEIG-UHFFFAOYSA-N
MW294.66 g/mol
LogP3.12
Rot. Bonds3

About [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride

[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride (PubChem CID 157332265) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
PubChem CID157332265
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccc(OC(F)(F)F)cc2)co1
InChIInChI=1S/C11H9F3N2O2.ClH/c12-11(13,14)18-8-3-1-7(2-4-8)9-6-17-10(5-15)16-9;/h1-4,6H,5,15H2;1H
InChIKeyYHYJDKKETUYEIG-UHFFFAOYSA-N
XLogP3.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine;dihydrochloride
CID 171369144
N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 4144926
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 102943740
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
[4-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 84763995

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride (CID 157332265) is [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride is Cl.NCc1nc(-c2ccc(OC(F)(F)F)cc2)co1.
What is the InChIKey of [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride?
The InChIKey is YHYJDKKETUYEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2.ClH/c12-11(13,14)18-8-3-1-7(2-4-8)9-6-17-10(5-15)16-9;/h1-4,6H,5,15H2;1H.
What are the key properties of [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride?
[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride has a molecular weight of 294.66 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 157332265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).