3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine

C12H14N2O3 — CID 43158389

IUPAC3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine
SMILESCOc1cccc(OC)c1-c1noc(N)c1C
InChIInChI=1S/C12H14N2O3/c1-7-11(14-17-12(7)13)10-8(15-2)5-4-6-9(10)16-3/h4-6H,13H2,1-3H3
InChIKeyCIGZFUCNRCQERT-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.25
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine

3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine (PubChem CID 43158389) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine
PubChem CID43158389
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine
SMILESCOc1cccc(OC)c1-c1noc(N)c1C
InChIInChI=1S/C12H14N2O3/c1-7-11(14-17-12(7)13)10-8(15-2)5-4-6-9(10)16-3/h4-6H,13H2,1-3H3
InChIKeyCIGZFUCNRCQERT-UHFFFAOYSA-N
XLogP2.25
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
3-(5-bromo-2-methoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 82134756
3-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330655
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555964
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43336010
4-(2-methoxyphenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122324
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
2-(2-methoxy-6-methylphenyl)pyrimidine
CID 166845053
4-(2-methoxyphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43158239
3-(3-methoxythiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 81121771
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine (CID 43158389) is 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine is COc1cccc(OC)c1-c1noc(N)c1C.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine?
The InChIKey is CIGZFUCNRCQERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-11(14-17-12(7)13)10-8(15-2)5-4-6-9(10)16-3/h4-6H,13H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine?
3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine has a molecular weight of 234.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43158389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).