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

C14H17ClN2O — CID 3049292

IUPACN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H17ClN2O/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
InChIKeyPZMCPMPCQYYQHS-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.84
Rot. Bonds5

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

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine (PubChem CID 3049292) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine
PubChem CID3049292
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H17ClN2O/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
InChIKeyPZMCPMPCQYYQHS-UHFFFAOYSA-N
XLogP3.84
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.84
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?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine (CID 3049292) is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine is CCN(CC)Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine?
The InChIKey is PZMCPMPCQYYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/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.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine?
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine has a molecular weight of 264.76 g/mol, XLogP of 3.84, 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 is sourced from PubChem (CID 3049292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).