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

C16H13ClN2O2 — CID 66204576

IUPAC4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-11-8-6-10(7-9-11)15-14(16(18)19-21-15)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19)
InChIKeyKDGQCTAMFFNVKE-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.25
Rot. Bonds3

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

4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66204576) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66204576
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-11-8-6-10(7-9-11)15-14(16(18)19-21-15)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19)
InChIKeyKDGQCTAMFFNVKE-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (CID 66204576) is 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2onc(N)c2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is KDGQCTAMFFNVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-11-8-6-10(7-9-11)15-14(16(18)19-21-15)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19).
What are the key properties of 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
4-(2-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-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66204576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).