4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline

C11H11ClN2O — CID 82473101

IUPAC4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline
SMILESCc1nc(-c2cc(Cl)ccc2N)oc1C
InChIInChI=1S/C11H11ClN2O/c1-6-7(2)15-11(14-6)9-5-8(12)3-4-10(9)13/h3-5H,13H2,1-2H3
InChIKeyIIMGJUDIQYBRBF-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.19
Rot. Bonds1

About 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline

4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline (PubChem CID 82473101) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline
PubChem CID82473101
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline
SMILESCc1nc(-c2cc(Cl)ccc2N)oc1C
InChIInChI=1S/C11H11ClN2O/c1-6-7(2)15-11(14-6)9-5-8(12)3-4-10(9)13/h3-5H,13H2,1-2H3
InChIKeyIIMGJUDIQYBRBF-UHFFFAOYSA-N
XLogP3.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline
CID 45157007
3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline
CID 79773558
4-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)aniline
CID 82473523
4-chloro-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788895
4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114765012
4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79527797
4-chloro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65422097
6-(4,5-dimethyl-1,3-oxazol-2-yl)pyridazin-3-amine
CID 82404097
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-chloroaniline
CID 29269319
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline
CID 82473391
5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 13167828
3-(4,5-dimethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 96625393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline (CID 82473101) is 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline is Cc1nc(-c2cc(Cl)ccc2N)oc1C.
What is the InChIKey of 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline?
The InChIKey is IIMGJUDIQYBRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-6-7(2)15-11(14-6)9-5-8(12)3-4-10(9)13/h3-5H,13H2,1-2H3.
What are the key properties of 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline?
4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline has a molecular weight of 222.68 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 82473101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).