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

C18H22N2O3 — CID 12894261

IUPAC1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC2CC2)on1
InChIInChI=1S/C18H22N2O3/c1-13-10-17(23-20-13)9-6-14-4-2-3-5-18(14)22-12-16(21)11-19-15-7-8-15/h2-6,9-10,15-16,19,21H,7-8,11-12H2,1H3/b9-6+
InChIKeyNFAYBKQKODCAMD-RMKNXTFCSA-N
MW314.39 g/mol
LogP2.65
Rot. Bonds8

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

1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (PubChem CID 12894261) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
PubChem CID12894261
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC2CC2)on1
InChIInChI=1S/C18H22N2O3/c1-13-10-17(23-20-13)9-6-14-4-2-3-5-18(14)22-12-16(21)11-19-15-7-8-15/h2-6,9-10,15-16,19,21H,7-8,11-12H2,1H3/b9-6+
InChIKeyNFAYBKQKODCAMD-RMKNXTFCSA-N
XLogP2.65
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 70568438
1-[[4-(4-methoxyphenyl)-2-methylbutan-2-yl]amino]-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 70578554
1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 56633979
3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole
CID 71435080
3-methyl-5-[(E)-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethenyl]-1,2-oxazole;dihydrochloride
CID 6448484
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
CID 67755125
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 13015339
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (CID 12894261) is 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is Cc1cc(/C=C/c2ccccc2OCC(O)CNC2CC2)on1.
What is the InChIKey of 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The InChIKey is NFAYBKQKODCAMD-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-10-17(23-20-13)9-6-14-4-2-3-5-18(14)22-12-16(21)11-19-15-7-8-15/h2-6,9-10,15-16,19,21H,7-8,11-12H2,1H3/b9-6+.
What are the key properties of 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol has a molecular weight of 314.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 12894261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).