4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-

C10H11NO2 — CID 11019399

IUPAC[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESC1[C@H](N=C(O1)C2=CC=CC=C2)CO
InChIInChI=1S/C10H11NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m1/s1
InChIKeyNRVMSFKEGIGIHL-SECBINFHSA-N
MW177.20 g/mol
LogP0.80
Rot. Bonds2

About 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-

4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)- (PubChem CID 11019399) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is [(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-
PubChem CID11019399
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESC1[C@H](N=C(O1)C2=CC=CC=C2)CO
InChIInChI=1S/C10H11NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m1/s1
InChIKeyNRVMSFKEGIGIHL-SECBINFHSA-N
XLogP0.80
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity197

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-?
The IUPAC name of 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)- (CID 11019399) is [(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-?
The canonical SMILES for 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)- is C1[C@H](N=C(O1)C2=CC=CC=C2)CO.
What is the InChIKey of 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-?
The InChIKey is NRVMSFKEGIGIHL-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m1/s1.
What are the key properties of 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-?
4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)- has a molecular weight of 177.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)- is sourced from PubChem (CID 11019399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).