[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine

C11H11ClN2O — CID 106818757

IUPAC[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(-c2cc(CN)on2)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-2-3-8(4-10(7)12)11-5-9(6-13)15-14-11/h2-5H,6,13H2,1H3
InChIKeyJFAZNJNSFMGINH-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.76
Rot. Bonds2

About [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine

[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine (PubChem CID 106818757) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine
PubChem CID106818757
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(-c2cc(CN)on2)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-2-3-8(4-10(7)12)11-5-9(6-13)15-14-11/h2-5H,6,13H2,1H3
InChIKeyJFAZNJNSFMGINH-UHFFFAOYSA-N
XLogP2.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 42895471
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
3-(3,4-dichlorophenyl)-5-(iodomethyl)-1,2-oxazole
CID 119091467
4-[5-(2-aminoethyl)-1,2-oxazol-3-yl]-2-chlorobenzonitrile
CID 67168307
2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane
CID 142374334
[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139840
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
CID 79555946
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
2-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63195138
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 63195096
2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine
CID 66219608

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine (CID 106818757) is [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine is Cc1ccc(-c2cc(CN)on2)cc1Cl.
What is the InChIKey of [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is JFAZNJNSFMGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-2-3-8(4-10(7)12)11-5-9(6-13)15-14-11/h2-5H,6,13H2,1H3.
What are the key properties of [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine?
[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 106818757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).