4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine

C12H13ClN2O2 — CID 116832501

IUPAC4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2cc(Cl)c(OC)cc2C)co1
InChIInChI=1S/C12H13ClN2O2/c1-7-4-11(16-3)9(13)5-8(7)10-6-17-12(14-2)15-10/h4-6H,1-3H3,(H,14,15)
InChIKeyVXCGWHQMAOYYCB-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.35
Rot. Bonds3

About 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine

4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832501) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832501
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2cc(Cl)c(OC)cc2C)co1
InChIInChI=1S/C12H13ClN2O2/c1-7-4-11(16-3)9(13)5-8(7)10-6-17-12(14-2)15-10/h4-6H,1-3H3,(H,14,15)
InChIKeyVXCGWHQMAOYYCB-UHFFFAOYSA-N
XLogP3.35
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832495
4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832537
4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine
CID 82298326
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82304626
2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole
CID 102974636
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine
CID 82487480
2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
CID 95481855
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
2,7-dichloro-6-methoxy-3-methylquinoline
CID 28809488
3-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823904

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine (CID 116832501) is 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine is CNc1nc(-c2cc(Cl)c(OC)cc2C)co1.
What is the InChIKey of 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is VXCGWHQMAOYYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7-4-11(16-3)9(13)5-8(7)10-6-17-12(14-2)15-10/h4-6H,1-3H3,(H,14,15).
What are the key properties of 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 252.70 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).