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

C12H15NO2 — CID 15668475

IUPAC(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCC[C@H](O)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H15NO2/c1-2-11(14)12-8-10(13-15-12)9-6-4-3-5-7-9/h3-7,11-12,14H,2,8H2,1H3/t11-,12+/m0/s1
InChIKeyBFFRMKGDXONMOO-NWDGAFQWSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds3

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

(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 15668475) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
PubChem CID15668475
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCC[C@H](O)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H15NO2/c1-2-11(14)12-8-10(13-15-12)9-6-4-3-5-7-9/h3-7,11-12,14H,2,8H2,1H3/t11-,12+/m0/s1
InChIKeyBFFRMKGDXONMOO-NWDGAFQWSA-N
XLogP1.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668474
(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668477
(2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol
CID 101229843
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]butan-2-ol
CID 93177696
(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 11471142
(1S)-1-[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10334002
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 104981037
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]pentan-2-ol
CID 93177694
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
pentafluoro-[(E)-3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)but-1-enyl]-λ6-sulfane
CID 101410683
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine
CID 134862944

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (CID 15668475) is (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is CC[C@H](O)[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is BFFRMKGDXONMOO-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11(14)12-8-10(13-15-12)9-6-4-3-5-7-9/h3-7,11-12,14H,2,8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 15668475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).