1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol

C9H18N2O2 — CID 10012668

IUPAC1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol
SMILESCC1=NOC(C(O)CNC(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)10-5-8(12)9-4-7(3)11-13-9/h6,8-10,12H,4-5H2,1-3H3
InChIKeyZWFYUCSIBZYEAZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds4

About 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol

1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 10012668) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol
PubChem CID10012668
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol
SMILESCC1=NOC(C(O)CNC(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)10-5-8(12)9-4-7(3)11-13-9/h6,8-10,12H,4-5H2,1-3H3
InChIKeyZWFYUCSIBZYEAZ-UHFFFAOYSA-N
XLogP0.51
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 10798102
2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
CID 10059099
(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10334002
(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10084954
2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 85086617
(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
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
1-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 21493190
N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine
CID 129026318
5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole
CID 90455407

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol (CID 10012668) is 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol is CC1=NOC(C(O)CNC(C)C)C1.
What is the InChIKey of 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is ZWFYUCSIBZYEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)10-5-8(12)9-4-7(3)11-13-9/h6,8-10,12H,4-5H2,1-3H3.
What are the key properties of 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol?
1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 186.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 10012668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).