4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine

C16H13ClN2O2 — CID 66198897

IUPAC4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-13-7-5-10(6-8-13)15-14(16(18)19-21-15)11-3-2-4-12(17)9-11/h2-9H,1H3,(H2,18,19)
InChIKeyPDBJMBMWGTVGSX-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.25
Rot. Bonds3

About 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine

4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66198897) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66198897
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-13-7-5-10(6-8-13)15-14(16(18)19-21-15)11-3-2-4-12(17)9-11/h2-9H,1H3,(H2,18,19)
InChIKeyPDBJMBMWGTVGSX-UHFFFAOYSA-N
XLogP4.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198750
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200762
5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 107967198

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (CID 66198897) is 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2onc(N)c2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is PDBJMBMWGTVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-13-7-5-10(6-8-13)15-14(16(18)19-21-15)11-3-2-4-12(17)9-11/h2-9H,1H3,(H2,18,19).
What are the key properties of 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 300.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).