(4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C16H15NO — CID 146025911

IUPAC(4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C16H15NO/c1-12-7-5-6-10-14(12)15-11-18-16(17-15)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyHEBFHNTZBJVRGI-HNNXBMFYSA-N
MW237.30 g/mol
LogP3.51
Rot. Bonds2

About (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

(4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 146025911) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID146025911
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C16H15NO/c1-12-7-5-6-10-14(12)15-11-18-16(17-15)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyHEBFHNTZBJVRGI-HNNXBMFYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
7-Methoxy-5H-dibenz(c,E)azepine
CID 375835
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
2-(2-Bromophenyl)-4-phenyl-4,5-dihydrooxazole
CID 44414803
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 146025911) is (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is Cc1ccccc1[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is HEBFHNTZBJVRGI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-7-5-6-10-14(12)15-11-18-16(17-15)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3/t15-/m0/s1.
What are the key properties of (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 237.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146025911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).