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

C22H26ClN3O7 — CID 11995704

IUPAC2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CO.Cl
InChIInChI=1S/C22H25N3O7.ClH/c1-28-17-6-5-12(7-16(17)25-22(27)15(23)11-26)14-10-24-32-20(14)13-8-18(29-2)21(31-4)19(9-13)30-3;/h5-10,15,26H,11,23H2,1-4H3,(H,25,27);1H
InChIKeyZKTHLRNSBDHMQZ-UHFFFAOYSA-N
MW479.92 g/mol
LogP2.72
Rot. Bonds9

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

2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride (PubChem CID 11995704) has the molecular formula C22H26ClN3O7 and a molecular weight of 479.92 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
PubChem CID11995704
Molecular FormulaC22H26ClN3O7
Molecular Weight479.92 g/mol
Exact Mass479.15
IUPAC Name2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CO.Cl
InChIInChI=1S/C22H25N3O7.ClH/c1-28-17-6-5-12(7-16(17)25-22(27)15(23)11-26)14-10-24-32-20(14)13-8-18(29-2)21(31-4)19(9-13)30-3;/h5-10,15,26H,11,23H2,1-4H3,(H,25,27);1H
InChIKeyZKTHLRNSBDHMQZ-UHFFFAOYSA-N
XLogP2.72
TPSA138.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride (CID 11995704) is 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride is COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CO.Cl.
What is the InChIKey of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
The InChIKey is ZKTHLRNSBDHMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O7.ClH/c1-28-17-6-5-12(7-16(17)25-22(27)15(23)11-26)14-10-24-32-20(14)13-8-18(29-2)21(31-4)19(9-13)30-3;/h5-10,15,26H,11,23H2,1-4H3,(H,25,27);1H.
What are the key properties of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?
2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride has a molecular weight of 479.92 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 11995704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).