(4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole

C15H13NO — CID 54012743

IUPAC(4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m1/s1
InChIKeyDTQJMAHDNUWGFH-CQSZACIVSA-N
MW223.28 g/mol
LogP3.20
Rot. Bonds2

About (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole

(4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 54012743) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID54012743
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m1/s1
InChIKeyDTQJMAHDNUWGFH-CQSZACIVSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole (CID 54012743) is (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole is c1ccc(C2=N[C@@H](c3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is DTQJMAHDNUWGFH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m1/s1.
What are the key properties of (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole?
(4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 223.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 54012743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).