5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine

C12H13ClN2O3 — CID 117425219

IUPAC5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)cc(Cl)c(C)c1OC
InChIInChI=1S/C12H13ClN2O3/c1-6-8(13)4-7(9-5-10(14)15-18-9)12(17-3)11(6)16-2/h4-5H,1-3H3,(H2,14,15)
InChIKeyDORQMEHAOCDNQS-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.90
Rot. Bonds3

About 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine

5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117425219) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117425219
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)cc(Cl)c(C)c1OC
InChIInChI=1S/C12H13ClN2O3/c1-6-8(13)4-7(9-5-10(14)15-18-9)12(17-3)11(6)16-2/h4-5H,1-3H3,(H2,14,15)
InChIKeyDORQMEHAOCDNQS-UHFFFAOYSA-N
XLogP2.90
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 117349818
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 117384774
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117349806
5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117425013
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine (CID 117425219) is 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine is COc1c(-c2cc(N)no2)cc(Cl)c(C)c1OC.
What is the InChIKey of 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is DORQMEHAOCDNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-6-8(13)4-7(9-5-10(14)15-18-9)12(17-3)11(6)16-2/h4-5H,1-3H3,(H2,14,15).
What are the key properties of 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine?
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 268.70 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117425219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).