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

C17H16N2O3 — CID 5329852

IUPACN-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C17H16N2O3/c1-20-14-9-8-13(10-15(14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyBTALXHSRAPGDGP-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.10
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 5329852) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID5329852
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C17H16N2O3/c1-20-14-9-8-13(10-15(14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyBTALXHSRAPGDGP-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (CID 5329852) is N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine is COc1ccc(Nc2ncc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is BTALXHSRAPGDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-20-14-9-8-13(10-15(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-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
N-(3,4-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-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 5329852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).