1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C19H27ClN2O4 — CID 45259841

IUPAC1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCOCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)C)on1.Cl
InChIInChI=1S/C19H26N2O4.ClH/c1-14(2)20-11-17(22)13-24-19-7-5-4-6-15(19)8-9-18-10-16(12-23-3)21-25-18;/h4-10,14,17,20,22H,11-13H2,1-3H3;1H/b9-8+;
InChIKeyUADXRNLPRRCQEI-HRNDJLQDSA-N
MW382.89 g/mol
LogP3.15
Rot. Bonds10

About 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 45259841) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID45259841
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Name1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCOCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)C)on1.Cl
InChIInChI=1S/C19H26N2O4.ClH/c1-14(2)20-11-17(22)13-24-19-7-5-4-6-15(19)8-9-18-10-16(12-23-3)21-25-18;/h4-10,14,17,20,22H,11-13H2,1-3H3;1H/b9-8+;
InChIKeyUADXRNLPRRCQEI-HRNDJLQDSA-N
XLogP3.15
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 45259841) is 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is COCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)C)on1.Cl.
What is the InChIKey of 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is UADXRNLPRRCQEI-HRNDJLQDSA-N. The full InChI is InChI=1S/C19H26N2O4.ClH/c1-14(2)20-11-17(22)13-24-19-7-5-4-6-15(19)8-9-18-10-16(12-23-3)21-25-18;/h4-10,14,17,20,22H,11-13H2,1-3H3;1H/b9-8+;.
What are the key properties of 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 45259841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).