(4R)-4-phenyl-4,5-dihydro-1,2-oxazole

C9H9NO — CID 140967269

IUPAC(4R)-4-phenyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC[C@@H]1c1ccccc1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-6,9H,7H2/t9-/m1/s1
InChIKeyYTLBJGQHFLJKIX-SECBINFHSA-N
MW147.18 g/mol
LogP1.79
Rot. Bonds1

About (4R)-4-phenyl-4,5-dihydro-1,2-oxazole

(4R)-4-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 140967269) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (4R)-4-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID140967269
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(4R)-4-phenyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC[C@@H]1c1ccccc1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-6,9H,7H2/t9-/m1/s1
InChIKeyYTLBJGQHFLJKIX-SECBINFHSA-N
XLogP1.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6-dimethyl-4-phenyl-3,4-dihydropyridine
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4-phenyloxathiolane
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5-phenyl-1,3,2-dioxathiane 2,2-dioxide
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[(2S,3R)-2,3-diphenylphosphiran-1-yl]-trimethylsilane
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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (4R)-4-phenyl-4,5-dihydro-1,2-oxazole (CID 140967269) is (4R)-4-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (4R)-4-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (4R)-4-phenyl-4,5-dihydro-1,2-oxazole is C1=NOC[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is YTLBJGQHFLJKIX-SECBINFHSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-6,9H,7H2/t9-/m1/s1.
What are the key properties of (4R)-4-phenyl-4,5-dihydro-1,2-oxazole?
(4R)-4-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 147.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 140967269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).