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

C19H24N2O4 — CID 13015335

IUPAC1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
SMILESCOCc1cc(/C=C/c2ccccc2OCC(O)CNC2CC2)on1
InChIInChI=1S/C19H24N2O4/c1-23-12-16-10-18(25-21-16)9-6-14-4-2-3-5-19(14)24-13-17(22)11-20-15-7-8-15/h2-6,9-10,15,17,20,22H,7-8,11-13H2,1H3/b9-6+
InChIKeyXAJFWHVOWDWLIO-RMKNXTFCSA-N
MW344.41 g/mol
LogP2.48
Rot. Bonds10

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

1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (PubChem CID 13015335) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
PubChem CID13015335
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
SMILESCOCc1cc(/C=C/c2ccccc2OCC(O)CNC2CC2)on1
InChIInChI=1S/C19H24N2O4/c1-23-12-16-10-18(25-21-16)9-6-14-4-2-3-5-19(14)24-13-17(22)11-20-15-7-8-15/h2-6,9-10,15,17,20,22H,7-8,11-13H2,1H3/b9-6+
InChIKeyXAJFWHVOWDWLIO-RMKNXTFCSA-N
XLogP2.48
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

Isoxaprolol
CID 6443854
(2R,3S,6S)-2-[[(2-methoxyphenyl)methylamino]methyl]-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75536406
2-Propanol, 3-(isopropylamino)-1-(o-((3-methyl-5-isoxazolyl)methoxy)phenoxy)-, hydrochloride
CID 3021680
2-Propanol, 3-(isopropylamino)-1-(o-((5-methyl-3-isoxazolyl)methoxy)phenoxy)-, hydrochloride
CID 3021682
2-Propanol, 3-(tert-butylamino)-1-(o-((5-methyl-3-isoxazolyl)methoxy)phenoxy)-, hydrochloride
CID 3021684
Ethanamine, N,N-diethyl-2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (E)-
CID 6448472
Ethanamine, N,N-dimethyl-2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride,(E)-
CID 6448474
Morpholine, 4-(2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)ethyl)-, monohydrochloride, (E)-
CID 6448478
1H-Azepine, hexahydro-1-(2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)ethyl)-, monohydrochloride, (E)-
CID 6448480
Isoxazole, 3-methyl-5-(2-(2-(2-(1-pyrrolidinyl)ethoxy)phenyl)ethenyl)-, monohydrochloride, (E)-
CID 6448482
1-Propanamine, N,N-dimethyl-3-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (E)-
CID 6448499
2-Propanol, 1-(o-((4-bromo-5-methyl-3-isoxazolyl)methoxy)phenoxy)-3-(isopropylamino)-, hydrochloride
CID 13071630

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (CID 13015335) is 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is COCc1cc(/C=C/c2ccccc2OCC(O)CNC2CC2)on1.
What is the InChIKey of 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The InChIKey is XAJFWHVOWDWLIO-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-12-16-10-18(25-21-16)9-6-14-4-2-3-5-19(14)24-13-17(22)11-20-15-7-8-15/h2-6,9-10,15,17,20,22H,7-8,11-13H2,1H3/b9-6+.
What are the key properties of 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol has a molecular weight of 344.41 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 13015335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).