(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol

C14H19ClN2O2 — CID 10334002

IUPAC(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@H](O)[C@H]1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)16-8-13(18)14-7-12(17-19-14)10-3-5-11(15)6-4-10/h3-6,9,13-14,16,18H,7-8H2,1-2H3/t13-,14+/m0/s1
InChIKeySPVJCJZIXOXLFF-UONOGXRCSA-N
MW282.77 g/mol
LogP2.19
Rot. Bonds5

About (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol

(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol (PubChem CID 10334002) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
PubChem CID10334002
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@H](O)[C@H]1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)16-8-13(18)14-7-12(17-19-14)10-3-5-11(15)6-4-10/h3-6,9,13-14,16,18H,7-8H2,1-2H3/t13-,14+/m0/s1
InChIKeySPVJCJZIXOXLFF-UONOGXRCSA-N
XLogP2.19
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol with MolForge

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Related Compounds

(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10084954
1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 10012668
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
3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 59544906
methyl 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
CID 10800894
(1S)-2-(tert-butylamino)-1-[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 10424683
1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 42838600
(2S)-1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-prop-2-enylamino]propan-2-ol
CID 98629906
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide
CID 42669706

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol (CID 10334002) is (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol is CC(C)NC[C@H](O)[C@H]1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
The InChIKey is SPVJCJZIXOXLFF-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(2)16-8-13(18)14-7-12(17-19-14)10-3-5-11(15)6-4-10/h3-6,9,13-14,16,18H,7-8H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol has a molecular weight of 282.77 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 10334002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).