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

C14H18Cl2N2O — CID 3049291

IUPACN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)Cc1ncc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C14H17ClN2O.ClH/c1-3-17(4-2)10-14-16-9-13(18-14)11-5-7-12(15)8-6-11;/h5-9H,3-4,10H2,1-2H3;1H
InChIKeyOWWNRJIDWJVRBD-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.26
Rot. Bonds5

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

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride (PubChem CID 3049291) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride
PubChem CID3049291
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)Cc1ncc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C14H17ClN2O.ClH/c1-3-17(4-2)10-14-16-9-13(18-14)11-5-7-12(15)8-6-11;/h5-9H,3-4,10H2,1-2H3;1H
InChIKeyOWWNRJIDWJVRBD-UHFFFAOYSA-N
XLogP4.26
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.26
H-Bond Donors ≤ 50
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]-N-ethylethanamine;hydrochloride?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride (CID 3049291) is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride is CCN(CC)Cc1ncc(-c2ccc(Cl)cc2)o1.Cl.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride?
The InChIKey is OWWNRJIDWJVRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O.ClH/c1-3-17(4-2)10-14-16-9-13(18-14)11-5-7-12(15)8-6-11;/h5-9H,3-4,10H2,1-2H3;1H.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride?
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride has a molecular weight of 301.22 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 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]-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 3049291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).