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

C12H12Cl2N2O — CID 79145623

IUPACN-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-2-15-6-11-12(17-7-16-11)9-4-3-8(13)5-10(9)14/h3-5,7,15H,2,6H2,1H3
InChIKeyOVDJVUVJYDMRKJ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.76
Rot. Bonds4

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

N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79145623) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79145623
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC NameN-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-2-15-6-11-12(17-7-16-11)9-4-3-8(13)5-10(9)14/h3-5,7,15H,2,6H2,1H3
InChIKeyOVDJVUVJYDMRKJ-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 106864643
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 113296266
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79140406
N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114824029
[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79140024
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79145577
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 114019049
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145920
N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 115354652
1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139255
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144683

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 79145623) is N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is OVDJVUVJYDMRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-2-15-6-11-12(17-7-16-11)9-4-3-8(13)5-10(9)14/h3-5,7,15H,2,6H2,1H3.
What are the key properties of N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 271.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79145623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).