3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine

C21H21N3O4 — CID 67046578

IUPAC3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine
SMILESCOc1ccccc1C1=C(C)N(c2ccc(-c3cnco3)c(OC)c2)C(N)O1
InChIInChI=1S/C21H21N3O4/c1-13-20(16-6-4-5-7-17(16)25-2)28-21(22)24(13)14-8-9-15(18(10-14)26-3)19-11-23-12-27-19/h4-12,21H,22H2,1-3H3
InChIKeyLJAQTAIFHKTABA-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.83
Rot. Bonds5

About 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine

3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine (PubChem CID 67046578) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine
PubChem CID67046578
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine
SMILESCOc1ccccc1C1=C(C)N(c2ccc(-c3cnco3)c(OC)c2)C(N)O1
InChIInChI=1S/C21H21N3O4/c1-13-20(16-6-4-5-7-17(16)25-2)28-21(22)24(13)14-8-9-15(18(10-14)26-3)19-11-23-12-27-19/h4-12,21H,22H2,1-3H3
InChIKeyLJAQTAIFHKTABA-UHFFFAOYSA-N
XLogP3.83
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine?
The IUPAC name of 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine (CID 67046578) is 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine.
What is the SMILES notation for 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine?
The canonical SMILES for 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine is COc1ccccc1C1=C(C)N(c2ccc(-c3cnco3)c(OC)c2)C(N)O1.
What is the InChIKey of 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine?
The InChIKey is LJAQTAIFHKTABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-20(16-6-4-5-7-17(16)25-2)28-21(22)24(13)14-8-9-15(18(10-14)26-3)19-11-23-12-27-19/h4-12,21H,22H2,1-3H3.
What are the key properties of 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine?
3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine has a molecular weight of 379.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine is sourced from PubChem (CID 67046578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).