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

C30H31ClN4O6 — CID 11996890

IUPAC2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)Cc1cc2ccccc2[nH]1.Cl
InChIInChI=1S/C30H30N4O6.ClH/c1-36-25-10-9-17(21-16-40-34-28(21)19-13-26(37-2)29(39-4)27(14-19)38-3)12-24(25)33-30(35)22(31)15-20-11-18-7-5-6-8-23(18)32-20;/h5-14,16,22,32H,15,31H2,1-4H3,(H,33,35);1H
InChIKeyPSOBXMCEIVEFID-UHFFFAOYSA-N
MW579.05 g/mol
LogP5.45
Rot. Bonds10

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

2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride (PubChem CID 11996890) has the molecular formula C30H31ClN4O6 and a molecular weight of 579.05 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
PubChem CID11996890
Molecular FormulaC30H31ClN4O6
Molecular Weight579.05 g/mol
Exact Mass578.19
IUPAC Name2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)Cc1cc2ccccc2[nH]1.Cl
InChIInChI=1S/C30H30N4O6.ClH/c1-36-25-10-9-17(21-16-40-34-28(21)19-13-26(37-2)29(39-4)27(14-19)38-3)12-24(25)33-30(35)22(31)15-20-11-18-7-5-6-8-23(18)32-20;/h5-14,16,22,32H,15,31H2,1-4H3,(H,33,35);1H
InChIKeyPSOBXMCEIVEFID-UHFFFAOYSA-N
XLogP5.45
TPSA133.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.05
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride (CID 11996890) is 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride is COc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)Cc1cc2ccccc2[nH]1.Cl.
What is the InChIKey of 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
The InChIKey is PSOBXMCEIVEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6.ClH/c1-36-25-10-9-17(21-16-40-34-28(21)19-13-26(37-2)29(39-4)27(14-19)38-3)12-24(25)33-30(35)22(31)15-20-11-18-7-5-6-8-23(18)32-20;/h5-14,16,22,32H,15,31H2,1-4H3,(H,33,35);1H.
What are the key properties of 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride has a molecular weight of 579.05 g/mol, XLogP of 5.45, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 11996890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).