2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol

C16H24N2O3 — CID 85086617

IUPAC2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCOc1ccc(C2=NOC(C(O)CNC(C)(C)C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)17-10-14(19)15-9-13(18-21-15)11-5-7-12(20-4)8-6-11/h5-8,14-15,17,19H,9-10H2,1-4H3
InChIKeyLIZDPWPSEXHMBQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds5

About 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol

2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 85086617) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID85086617
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCOc1ccc(C2=NOC(C(O)CNC(C)(C)C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)17-10-14(19)15-9-13(18-21-15)11-5-7-12(20-4)8-6-11/h5-8,14-15,17,19H,9-10H2,1-4H3
InChIKeyLIZDPWPSEXHMBQ-UHFFFAOYSA-N
XLogP1.94
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668477
(1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 10424683
(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10084954
(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 10798102
(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10334002
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668475
(1R)-1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668474
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
(5R)-3-(4-methoxyphenyl)-5-[(2S)-thiiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 10966475

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 85086617) is 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol is COc1ccc(C2=NOC(C(O)CNC(C)(C)C)C2)cc1.
What is the InChIKey of 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is LIZDPWPSEXHMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)17-10-14(19)15-9-13(18-21-15)11-5-7-12(20-4)8-6-11/h5-8,14-15,17,19H,9-10H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 292.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 85086617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).