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

C5H7ClF2N2O — CID 146049074

IUPAC[2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1coc(C(F)F)n1
InChIInChI=1S/C5H6F2N2O.ClH/c6-4(7)5-9-3(1-8)2-10-5;/h2,4H,1,8H2;1H
InChIKeyOLWOWNBYJWVEHD-UHFFFAOYSA-N
MW184.57 g/mol
LogP1.49
Rot. Bonds2

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

[2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride (PubChem CID 146049074) has the molecular formula C5H7ClF2N2O and a molecular weight of 184.57 g/mol. Its IUPAC name is [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride
PubChem CID146049074
Molecular FormulaC5H7ClF2N2O
Molecular Weight184.57 g/mol
Exact Mass184.02
IUPAC Name[2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1coc(C(F)F)n1
InChIInChI=1S/C5H6F2N2O.ClH/c6-4(7)5-9-3(1-8)2-10-5;/h2,4H,1,8H2;1H
InChIKeyOLWOWNBYJWVEHD-UHFFFAOYSA-N
XLogP1.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.57
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxazol-4-ylmethanamine
CID 23055690
2-Methyl-4-oxazolemethanamine
CID 44119606
(1,3-Oxazol-4-yl)methanamine hydrochloride
CID 45790028
(2-Ethyl-1,3-oxazol-4-yl)methanamine
CID 68166152
(2-(Trifluoromethyl)-1,3-oxazol-4-yl)methanamine
CID 84652277
(2-Methyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 53412065
(2-Chloro-1,3-oxazol-4-yl)methanamine hydrochloride
CID 122236264
(2-((Dimethylamino)methyl)-1,3-oxazol-4-yl)methanamine
CID 131071267
Methyl((2-methyl-1,3-oxazol-4-yl)methyl)amine hydrochloride
CID 137952004
(2-(Trifluoromethyl)-1,3-oxazol-4-yl)methanamine hydrochloride
CID 137952102
(1R)-1-(4-methyl-1,3-oxazol-2-yl)ethan-1-amine dihydrochloride
CID 165604431
1-(4-Methyl-1,3-oxazol-2-yl)methanamine dihydrochloride
CID 165994655

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride (CID 146049074) is [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride is Cl.NCc1coc(C(F)F)n1.
What is the InChIKey of [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
The InChIKey is OLWOWNBYJWVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O.ClH/c6-4(7)5-9-3(1-8)2-10-5;/h2,4H,1,8H2;1H.
What are the key properties of [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
[2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride has a molecular weight of 184.57 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146049074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).