(5R)-5-phenyl-4,5-dihydro-1,3-oxazole

C9H9NO — CID 91555528

IUPAC(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC1=NC[C@@H](c2ccccc2)O1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-5,7,9H,6H2/t9-/m0/s1
InChIKeyYEMVKBHTRGTNJT-VIFPVBQESA-N
MW147.18 g/mol
LogP1.79
Rot. Bonds1

About (5R)-5-phenyl-4,5-dihydro-1,3-oxazole

(5R)-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 91555528) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (5R)-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID91555528
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC1=NC[C@@H](c2ccccc2)O1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-5,7,9H,6H2/t9-/m0/s1
InChIKeyYEMVKBHTRGTNJT-VIFPVBQESA-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

5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 142422179
ethane;5-(3-methylphenyl)-4,5-dihydro-1,3-oxazole;pyrrolidine-1-carbaldehyde
CID 143615513
5-phenyl-4,5-dihydrooxadiazole
CID 154572908
2-phenyloxirane
CID 7276
5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 175040461
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
2,6-diphenyloxan-4-one
CID 500287
ethane;2-phenyloxirane
CID 54171856
3,3-dimethyl-5-phenyloxolane-2-carbaldehyde
CID 175344620
5-phenyloxolane-2,3-dione
CID 14450727
4-phenyloxetane-2-carboxylic acid
CID 20744932
2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde
CID 151995500

Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5R)-5-phenyl-4,5-dihydro-1,3-oxazole (CID 91555528) is (5R)-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5R)-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5R)-5-phenyl-4,5-dihydro-1,3-oxazole is C1=NC[C@@H](c2ccccc2)O1.
What is the InChIKey of (5R)-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is YEMVKBHTRGTNJT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-5,7,9H,6H2/t9-/m0/s1.
What are the key properties of (5R)-5-phenyl-4,5-dihydro-1,3-oxazole?
(5R)-5-phenyl-4,5-dihydro-1,3-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 (5R)-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91555528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).