4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine

C11H11ClN2O2 — CID 116832520

IUPAC4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2Cl)co1
InChIInChI=1S/C11H11ClN2O2/c1-13-11-14-10(6-16-11)8-4-3-7(15-2)5-9(8)12/h3-6H,1-2H3,(H,13,14)
InChIKeyYECOLZIFEZWPJE-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.05
Rot. Bonds3

About 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine

4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832520) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832520
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2Cl)co1
InChIInChI=1S/C11H11ClN2O2/c1-13-11-14-10(6-16-11)8-4-3-7(15-2)5-9(8)12/h3-6H,1-2H3,(H,13,14)
InChIKeyYECOLZIFEZWPJE-UHFFFAOYSA-N
XLogP3.05
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832501
2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864439
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832495
6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823608
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
[2-(2-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887813
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832537
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
CID 170925653
3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
CID 102753823

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine (CID 116832520) is 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine is CNc1nc(-c2ccc(OC)cc2Cl)co1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is YECOLZIFEZWPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-13-11-14-10(6-16-11)8-4-3-7(15-2)5-9(8)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine?
4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 238.67 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).