2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide

C22H25N3O6 — CID 11995706

IUPAC2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(C)N
InChIInChI=1S/C22H25N3O6/c1-12(23)22(26)25-16-8-13(6-7-17(16)27-2)15-11-24-31-20(15)14-9-18(28-3)21(30-5)19(10-14)29-4/h6-12H,23H2,1-5H3,(H,25,26)
InChIKeySTVMLMGYRHWCMK-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.33
Rot. Bonds8

About 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide

2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide (PubChem CID 11995706) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide
PubChem CID11995706
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(C)N
InChIInChI=1S/C22H25N3O6/c1-12(23)22(26)25-16-8-13(6-7-17(16)27-2)15-11-24-31-20(15)14-9-18(28-3)21(30-5)19(10-14)29-4/h6-12H,23H2,1-5H3,(H,25,26)
InChIKeySTVMLMGYRHWCMK-UHFFFAOYSA-N
XLogP3.33
TPSA118.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide?
The IUPAC name of 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide (CID 11995706) is 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide?
The canonical SMILES for 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide is COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide?
The InChIKey is STVMLMGYRHWCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-12(23)22(26)25-16-8-13(6-7-17(16)27-2)15-11-24-31-20(15)14-9-18(28-3)21(30-5)19(10-14)29-4/h6-12H,23H2,1-5H3,(H,25,26).
What are the key properties of 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide?
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide has a molecular weight of 427.46 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 11995706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).