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

C14H19NO2 — CID 101229843

IUPAC(2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol
SMILESCCC[C@@H](CO)[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C14H19NO2/c1-2-6-12(10-16)14-9-13(15-17-14)11-7-4-3-5-8-11/h3-5,7-8,12,14,16H,2,6,9-10H2,1H3/t12-,14-/m0/s1
InChIKeyRFIGPRODEQDKMV-JSGCOSHPSA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds5

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

(2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol (PubChem CID 101229843) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol
PubChem CID101229843
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol
SMILESCCC[C@@H](CO)[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C14H19NO2/c1-2-6-12(10-16)14-9-13(15-17-14)11-7-4-3-5-8-11/h3-5,7-8,12,14,16H,2,6,9-10H2,1H3/t12-,14-/m0/s1
InChIKeyRFIGPRODEQDKMV-JSGCOSHPSA-N
XLogP2.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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]pentan-2-ol
CID 93177694
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 104981037
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]butan-2-ol
CID 93177696
pentafluoro-[(E)-3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)but-1-enyl]-λ6-sulfane
CID 101410683
(2S)-1-[(4-fluorophenyl)methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]pentan-2-ol
CID 98629660
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 11471142
N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine
CID 134862944
(2R)-2-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-4-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 124714563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol?
The IUPAC name of (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol (CID 101229843) is (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol.
What is the SMILES notation for (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol?
The canonical SMILES for (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol is CCC[C@@H](CO)[C@@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol?
The InChIKey is RFIGPRODEQDKMV-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-6-12(10-16)14-9-13(15-17-14)11-7-4-3-5-8-11/h3-5,7-8,12,14,16H,2,6,9-10H2,1H3/t12-,14-/m0/s1.
What are the key properties of (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol?
(2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol is sourced from PubChem (CID 101229843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).