(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

C17H17NO2 — CID 11471142

IUPAC(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESO[C@@H](C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(14-9-5-2-6-10-14)12-15-11-16(18-20-15)13-7-3-1-4-8-13/h1-10,15,17,19H,11-12H2/t15-,17-/m0/s1
InChIKeyDFTHUEJCPNSYAP-RDJZCZTQSA-N
MW267.33 g/mol
LogP3.30
Rot. Bonds4

About (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 11471142) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID11471142
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESO[C@@H](C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(14-9-5-2-6-10-14)12-15-11-16(18-20-15)13-7-3-1-4-8-13/h1-10,15,17,19H,11-12H2/t15-,17-/m0/s1
InChIKeyDFTHUEJCPNSYAP-RDJZCZTQSA-N
XLogP3.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
CID 14899368
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
2-[(3-chlorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 46014190
(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
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]butan-2-ol
CID 93177696
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]pentan-2-ol
CID 93177694
5-(nitromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12606163
(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol
CID 98629894
N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine
CID 134862944
(5R)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 139187390
N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
CID 5077825

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 11471142) is (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is O[C@@H](C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is DFTHUEJCPNSYAP-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(14-9-5-2-6-10-14)12-15-11-16(18-20-15)13-7-3-1-4-8-13/h1-10,15,17,19H,11-12H2/t15-,17-/m0/s1.
What are the key properties of (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 267.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 11471142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).