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

C11H13ClN2O — CID 115061565

IUPAC[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESNCC1=NCC(Cc2cccc(Cl)c2)O1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-2-8(4-9)5-10-7-14-11(6-13)15-10/h1-4,10H,5-7,13H2
InChIKeyJHTJJYHEGZNQKM-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.64
Rot. Bonds3

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

[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (PubChem CID 115061565) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
PubChem CID115061565
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESNCC1=NCC(Cc2cccc(Cl)c2)O1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-2-8(4-9)5-10-7-14-11(6-13)15-10/h1-4,10H,5-7,13H2
InChIKeyJHTJJYHEGZNQKM-UHFFFAOYSA-N
XLogP1.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061594
3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
CID 115061627
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
3-[(3-chlorophenyl)methyl]oxetane
CID 129453186
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
2-[5-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061610
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
CID 7022801
[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061536
5-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061684
2-[2-(3-chlorophenyl)ethyl]oxirane
CID 22123721
[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
CID 23130572
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
CID 82080374

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (CID 115061565) is [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is NCC1=NCC(Cc2cccc(Cl)c2)O1.
What is the InChIKey of [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The InChIKey is JHTJJYHEGZNQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-3-1-2-8(4-9)5-10-7-14-11(6-13)15-10/h1-4,10H,5-7,13H2.
What are the key properties of [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine has a molecular weight of 224.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115061565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).