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

C17H16N2O3 — CID 853148

IUPAC4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccccc3)noc2N)cc1OC
InChIInChI=1S/C17H16N2O3/c1-20-13-9-8-12(10-14(13)21-2)15-16(19-22-17(15)18)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3
InChIKeyQUOKUCMYLUIETP-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.61
Rot. Bonds4

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

4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine (PubChem CID 853148) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine
PubChem CID853148
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccccc3)noc2N)cc1OC
InChIInChI=1S/C17H16N2O3/c1-20-13-9-8-12(10-14(13)21-2)15-16(19-22-17(15)18)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3
InChIKeyQUOKUCMYLUIETP-UHFFFAOYSA-N
XLogP3.61
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine (CID 853148) is 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3ccccc3)noc2N)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine?
The InChIKey is QUOKUCMYLUIETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-20-13-9-8-12(10-14(13)21-2)15-16(19-22-17(15)18)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine?
4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine has a molecular weight of 296.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 853148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).