1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol

C19H26N2O3 — CID 70568438

IUPAC1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SMILESCc1cc(/C=C\c2ccccc2OCC(O)CNC(C)(C)C)on1
InChIInChI=1S/C19H26N2O3/c1-14-11-17(24-21-14)10-9-15-7-5-6-8-18(15)23-13-16(22)12-20-19(2,3)4/h5-11,16,20,22H,12-13H2,1-4H3/b10-9-
InChIKeyMOIVIHVEHZGRGG-KTKRTIGZSA-N
MW330.43 g/mol
LogP3.28
Rot. Bonds7

About 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol

1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (PubChem CID 70568438) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
PubChem CID70568438
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SMILESCc1cc(/C=C\c2ccccc2OCC(O)CNC(C)(C)C)on1
InChIInChI=1S/C19H26N2O3/c1-14-11-17(24-21-14)10-9-15-7-5-6-8-18(15)23-13-16(22)12-20-19(2,3)4/h5-11,16,20,22H,12-13H2,1-4H3/b10-9-
InChIKeyMOIVIHVEHZGRGG-KTKRTIGZSA-N
XLogP3.28
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanamine, N,N-diethyl-2-(2-(3-methyl-5-isoxazolyl)phenoxy)-, monohydrochloride
CID 40904
Isoxaprolol
CID 6443854
1-[Benzyl(methyl)amino]-3-[4-({methyl[(3-methylisoxazol-5-yl)methyl]amino}methyl)phenoxy]propan-2-ol
CID 16191478
(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

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (CID 70568438) is 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is Cc1cc(/C=C\c2ccccc2OCC(O)CNC(C)(C)C)on1.
What is the InChIKey of 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
The InChIKey is MOIVIHVEHZGRGG-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-11-17(24-21-14)10-9-15-7-5-6-8-18(15)23-13-16(22)12-20-19(2,3)4/h5-11,16,20,22H,12-13H2,1-4H3/b10-9-.
What are the key properties of 1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol has a molecular weight of 330.43 g/mol, XLogP of 3.28, 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-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 70568438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).