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

C12H13Cl3N2O — CID 3049283

IUPACN-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccc(Cl)c(Cl)c2)o1.Cl
InChIInChI=1S/C12H12Cl2N2O.ClH/c1-2-15-7-12-16-6-11(17-12)8-3-4-9(13)10(14)5-8;/h3-6,15H,2,7H2,1H3;1H
InChIKeyUPVKRWLATXDPLQ-UHFFFAOYSA-N
MW307.61 g/mol
LogP4.18
Rot. Bonds4

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

N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 3049283) has the molecular formula C12H13Cl3N2O and a molecular weight of 307.61 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID3049283
Molecular FormulaC12H13Cl3N2O
Molecular Weight307.61 g/mol
Exact Mass306.01
IUPAC NameN-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccc(Cl)c(Cl)c2)o1.Cl
InChIInChI=1S/C12H12Cl2N2O.ClH/c1-2-15-7-12-16-6-11(17-12)8-3-4-9(13)10(14)5-8;/h3-6,15H,2,7H2,1H3;1H
InChIKeyUPVKRWLATXDPLQ-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride (CID 3049283) is N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1ncc(-c2ccc(Cl)c(Cl)c2)o1.Cl.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is UPVKRWLATXDPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O.ClH/c1-2-15-7-12-16-6-11(17-12)8-3-4-9(13)10(14)5-8;/h3-6,15H,2,7H2,1H3;1H.
What are the key properties of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 307.61 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 3049283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).