N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride

C12H14Cl2N2O — CID 3049301

IUPACN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-2-14-8-12-15-7-11(16-12)9-3-5-10(13)6-4-9;/h3-7,14H,2,8H2,1H3;1H
InChIKeyQNYFWCURWNVXPO-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.53
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 3049301) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID3049301
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-2-14-8-12-15-7-11(16-12)9-3-5-10(13)6-4-9;/h3-7,14H,2,8H2,1H3;1H
InChIKeyQNYFWCURWNVXPO-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride (CID 3049301) is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1ncc(-c2ccc(Cl)cc2)o1.Cl.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is QNYFWCURWNVXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.ClH/c1-2-14-8-12-15-7-11(16-12)9-3-5-10(13)6-4-9;/h3-7,14H,2,8H2,1H3;1H.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 273.16 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 3049301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).