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

C12H13ClN2O — CID 65239703

IUPACN-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnoc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-2-14-7-10-8-15-16-12(10)9-3-5-11(13)6-4-9/h3-6,8,14H,2,7H2,1H3
InChIKeyDXGBMTLHKMOEEL-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.10
Rot. Bonds4

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

N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine (PubChem CID 65239703) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
PubChem CID65239703
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC NameN-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnoc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-2-14-7-10-8-15-16-12(10)9-3-5-11(13)6-4-9/h3-6,8,14H,2,7H2,1H3
InChIKeyDXGBMTLHKMOEEL-UHFFFAOYSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65240268
N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239931
[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 97032664
methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate
CID 22221228
N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239812
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65240284
N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 65239762
N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine
CID 65239756
N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65240288
N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65239880
N-[[5-(2-nitrophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65240155

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine (CID 65239703) is N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine is CCNCc1cnoc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The InChIKey is DXGBMTLHKMOEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-14-7-10-8-15-16-12(10)9-3-5-11(13)6-4-9/h3-6,8,14H,2,7H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine has a molecular weight of 236.70 g/mol, XLogP of 3.10, 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)-1,2-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65239703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).