2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine

C12H15ClN2O — CID 115061171

IUPAC2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
SMILESNCCC1COC(Cc2ccccc2Cl)=N1
InChIInChI=1S/C12H15ClN2O/c13-11-4-2-1-3-9(11)7-12-15-10(5-6-14)8-16-12/h1-4,10H,5-8,14H2
InChIKeySVXICEYNEKXMSW-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.03
Rot. Bonds4

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

2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine (PubChem CID 115061171) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
PubChem CID115061171
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
SMILESNCCC1COC(Cc2ccccc2Cl)=N1
InChIInChI=1S/C12H15ClN2O/c13-11-4-2-1-3-9(11)7-12-15-10(5-6-14)8-16-12/h1-4,10H,5-8,14H2
InChIKeySVXICEYNEKXMSW-UHFFFAOYSA-N
XLogP2.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine (CID 115061171) is 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine is NCCC1COC(Cc2ccccc2Cl)=N1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine?
The InChIKey is SVXICEYNEKXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-4-2-1-3-9(11)7-12-15-10(5-6-14)8-16-12/h1-4,10H,5-8,14H2.
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine?
2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine has a molecular weight of 238.72 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115061171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).