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

C12H13ClN2O — CID 3049280

IUPACN-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C12H13ClN2O/c1-2-14-8-12-15-7-11(16-12)9-5-3-4-6-10(9)13/h3-7,14H,2,8H2,1H3
InChIKeyKRKWHPYSWPRTLL-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.10
Rot. Bonds4

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

N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 3049280) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID3049280
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC NameN-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C12H13ClN2O/c1-2-14-8-12-15-7-11(16-12)9-5-3-4-6-10(9)13/h3-7,14H,2,8H2,1H3
InChIKeyKRKWHPYSWPRTLL-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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 3049280) is N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is KRKWHPYSWPRTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-14-8-12-15-7-11(16-12)9-5-3-4-6-10(9)13/h3-7,14H,2,8H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-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-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 3049280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).