(4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole

C15H15NOS — CID 139730472

IUPAC(4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(Cc3cccs3)=N2)cc1
InChIInChI=1S/C15H15NOS/c1-2-5-12(6-3-1)9-13-11-17-15(16-13)10-14-7-4-8-18-14/h1-8,13H,9-11H2/t13-/m1/s1
InChIKeyCCMZJLAYYFQPGV-CYBMUJFWSA-N
MW257.36 g/mol
LogP3.33
Rot. Bonds4

About (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole

(4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 139730472) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID139730472
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(Cc3cccs3)=N2)cc1
InChIInChI=1S/C15H15NOS/c1-2-5-12(6-3-1)9-13-11-17-15(16-13)10-14-7-4-8-18-14/h1-8,13H,9-11H2/t13-/m1/s1
InChIKeyCCMZJLAYYFQPGV-CYBMUJFWSA-N
XLogP3.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-2-(thiophen-3-yl)-4,5-dihydro-1,3-oxazole
CID 6539915
(4R)-4-benzyl-2-(thiophen-3-yl)-4,5-dihydro-1,3-oxazole
CID 6539918
4-Phenyl-2-thien-2-yl-4,5-dihydro-1,3-oxazole
CID 3242466
(4S)-4-benzyl-2-[(E)-2-thiophen-2-ylethenyl]-4,5-dihydro-1,3-oxazole
CID 137637054
4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole
CID 382426
(4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 67566535
(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-thiophen-2-ylethenyl]-4,5-dihydro-1,3-oxazole
CID 66560660
2-Phenyl-4-(thiophen-3-yl)-4,5-dihydrooxazole
CID 146025929
5-Phenyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole
CID 178250485
[(4R)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 382425
[5-Phenyl-2-(2-thienyl)-4,5-dihydrooxazol-4-yl]methanol
CID 495830
[(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 10967213

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole (CID 139730472) is (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole is c1ccc(C[C@@H]2COC(Cc3cccs3)=N2)cc1.
What is the InChIKey of (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CCMZJLAYYFQPGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-5-12(6-3-1)9-13-11-17-15(16-13)10-14-7-4-8-18-14/h1-8,13H,9-11H2/t13-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 257.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139730472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).