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

C23H27N3O6 — CID 11995709

IUPAC2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide
SMILESCCC(N)C(=O)Nc1cc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C23H27N3O6/c1-6-16(24)23(27)26-17-9-13(7-8-18(17)28-2)15-12-25-32-21(15)14-10-19(29-3)22(31-5)20(11-14)30-4/h7-12,16H,6,24H2,1-5H3,(H,26,27)
InChIKeyZHTGZQVYSHQGRD-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.72
Rot. Bonds9

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

2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide (PubChem CID 11995709) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide
PubChem CID11995709
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide
SMILESCCC(N)C(=O)Nc1cc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C23H27N3O6/c1-6-16(24)23(27)26-17-9-13(7-8-18(17)28-2)15-12-25-32-21(15)14-10-19(29-3)22(31-5)20(11-14)30-4/h7-12,16H,6,24H2,1-5H3,(H,26,27)
InChIKeyZHTGZQVYSHQGRD-UHFFFAOYSA-N
XLogP3.72
TPSA118.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.72
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]butanamide?
The IUPAC name of 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide (CID 11995709) is 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide.
What is the SMILES notation for 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide?
The canonical SMILES for 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide is CCC(N)C(=O)Nc1cc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide?
The InChIKey is ZHTGZQVYSHQGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-6-16(24)23(27)26-17-9-13(7-8-18(17)28-2)15-12-25-32-21(15)14-10-19(29-3)22(31-5)20(11-14)30-4/h7-12,16H,6,24H2,1-5H3,(H,26,27).
What are the key properties of 2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide?
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide has a molecular weight of 441.48 g/mol, XLogP of 3.72, 9 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]butanamide is sourced from PubChem (CID 11995709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).