1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol

C20H28N2O3 — CID 13015339

IUPAC1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SMILESCc1noc(/C=C/c2ccccc2OCC(O)CNC(C)(C)C)c1C
InChIInChI=1S/C20H28N2O3/c1-14-15(2)22-25-18(14)11-10-16-8-6-7-9-19(16)24-13-17(23)12-21-20(3,4)5/h6-11,17,21,23H,12-13H2,1-5H3/b11-10+
InChIKeyZBYCHQJNNCJNJD-ZHACJKMWSA-N
MW344.46 g/mol
LogP3.59
Rot. Bonds7

About 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol

1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (PubChem CID 13015339) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
PubChem CID13015339
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SMILESCc1noc(/C=C/c2ccccc2OCC(O)CNC(C)(C)C)c1C
InChIInChI=1S/C20H28N2O3/c1-14-15(2)22-25-18(14)11-10-16-8-6-7-9-19(16)24-13-17(23)12-21-20(3,4)5/h6-11,17,21,23H,12-13H2,1-5H3/b11-10+
InChIKeyZBYCHQJNNCJNJD-ZHACJKMWSA-N
XLogP3.59
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-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-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 56633979
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
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-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 12894261
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]ethyl nitrate
CID 13376596

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (CID 13015339) is 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is Cc1noc(/C=C/c2ccccc2OCC(O)CNC(C)(C)C)c1C.
What is the InChIKey of 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The InChIKey is ZBYCHQJNNCJNJD-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-15(2)22-25-18(14)11-10-16-8-6-7-9-19(16)24-13-17(23)12-21-20(3,4)5/h6-11,17,21,23H,12-13H2,1-5H3/b11-10+.
What are the key properties of 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[2-[(E)-2-(3,4-dimethyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 13015339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).