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

C19H20N2O5 — CID 46227201

IUPAC3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2noc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-22-13-7-5-11(6-8-13)17-16(19(20)26-21-17)12-9-14(23-2)18(25-4)15(10-12)24-3/h5-10H,20H2,1-4H3
InChIKeyLAJLHJJYAMSQAL-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.63
Rot. Bonds6

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

3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 46227201) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID46227201
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2noc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-22-13-7-5-11(6-8-13)17-16(19(20)26-21-17)12-9-14(23-2)18(25-4)15(10-12)24-3/h5-10H,20H2,1-4H3
InChIKeyLAJLHJJYAMSQAL-UHFFFAOYSA-N
XLogP3.63
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(7-Methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 46949815
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)isoxazole
CID 44439006
3-(3,4,5-Trimethoxyphenyl)-4-(4-methoxyphenyl)-5-amino-isoxazole
CID 46227182
N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 46227190
4-(3,4-Dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 853148
Methyl 5-amino-3-(3,4,5-triethoxyphenyl)isoxazole-4-carboxylate
CID 3242551
5-Amino-3-(3,4,5-triethoxyphenyl)isoxazole-4-carbonitrile
CID 6618836
N-acetyl-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 46949212
4-(7-Methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 51138522
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 76310392
4-(7-Methoxy-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 76321341
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
CID 76324944

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine (CID 46227201) is 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2noc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is LAJLHJJYAMSQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-22-13-7-5-11(6-8-13)17-16(19(20)26-21-17)12-9-14(23-2)18(25-4)15(10-12)24-3/h5-10H,20H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 356.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 46227201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).