1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride

C11H12Cl2N2O — CID 3049278

IUPAC1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ncc(-c2ccccc2Cl)o1.Cl
InChIInChI=1S/C11H11ClN2O.ClH/c1-13-7-11-14-6-10(15-11)8-4-2-3-5-9(8)12;/h2-6,13H,7H2,1H3;1H
InChIKeyPJYKNZHRUNKAEQ-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.14
Rot. Bonds3

About 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride

1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 3049278) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID3049278
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ncc(-c2ccccc2Cl)o1.Cl
InChIInChI=1S/C11H11ClN2O.ClH/c1-13-7-11-14-6-10(15-11)8-4-2-3-5-9(8)12;/h2-6,13H,7H2,1H3;1H
InChIKeyPJYKNZHRUNKAEQ-UHFFFAOYSA-N
XLogP3.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178721
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine
CID 86787323
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-4-(difluoromethoxy)aniline
CID 95904187
2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
CID 121205153
1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178511
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119543119
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride (CID 3049278) is 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride is CNCc1ncc(-c2ccccc2Cl)o1.Cl.
What is the InChIKey of 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is PJYKNZHRUNKAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.ClH/c1-13-7-11-14-6-10(15-11)8-4-2-3-5-9(8)12;/h2-6,13H,7H2,1H3;1H.
What are the key properties of 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 259.14 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 3049278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).