4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine

C12H13ClN2O3 — CID 117425199

IUPAC4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Cl)c(-c2cnoc2N)c(C)c1OC
InChIInChI=1S/C12H13ClN2O3/c1-6-10(7-5-15-18-12(7)14)8(13)4-9(16-2)11(6)17-3/h4-5H,14H2,1-3H3
InChIKeyMKCCYZAUFAVCNT-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.90
Rot. Bonds3

About 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine

4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117425199) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117425199
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Cl)c(-c2cnoc2N)c(C)c1OC
InChIInChI=1S/C12H13ClN2O3/c1-6-10(7-5-15-18-12(7)14)8(13)4-9(16-2)11(6)17-3/h4-5H,14H2,1-3H3
InChIKeyMKCCYZAUFAVCNT-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

4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
CID 117353908
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117425195
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480762

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine (CID 117425199) is 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine is COc1cc(Cl)c(-c2cnoc2N)c(C)c1OC.
What is the InChIKey of 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is MKCCYZAUFAVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-6-10(7-5-15-18-12(7)14)8(13)4-9(16-2)11(6)17-3/h4-5H,14H2,1-3H3.
What are the key properties of 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine?
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-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 4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117425199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).