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

C17H16N2O3 — CID 5329853

IUPACN-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCOc1cc(Nc2ncc(-c3ccccc3)o2)cc(OC)c1
InChIInChI=1S/C17H16N2O3/c1-20-14-8-13(9-15(10-14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyRKNRDRPDYXCRPG-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.10
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 5329853) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID5329853
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCOc1cc(Nc2ncc(-c3ccccc3)o2)cc(OC)c1
InChIInChI=1S/C17H16N2O3/c1-20-14-8-13(9-15(10-14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyRKNRDRPDYXCRPG-UHFFFAOYSA-N
XLogP4.10
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-Diphenyl-2-oxazolamine
CID 5329404
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329852
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
CID 5329854
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-phenyl-oxazol-2-amine
CID 497770
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(o-tolyl)oxazol-2-amine
CID 497771
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(m-tolyl)oxazol-2-amine
CID 497772
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(p-tolyl)oxazol-2-amine
CID 497773
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(2-methoxyphenyl)oxazol-2-amine
CID 497774
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(3-methoxyphenyl)oxazol-2-amine
CID 497775
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(4-methoxyphenyl)oxazol-2-amine
CID 497776

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (CID 5329853) is N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine is COc1cc(Nc2ncc(-c3ccccc3)o2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is RKNRDRPDYXCRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-20-14-8-13(9-15(10-14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 296.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 5329853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).