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

C14H13NOS — CID 10977663

IUPAC(4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(Cc3cccs3)=N2)cc1
InChIInChI=1S/C14H13NOS/c1-2-5-11(6-3-1)13-10-16-14(15-13)9-12-7-4-8-17-12/h1-8,13H,9-10H2/t13-/m0/s1
InChIKeyPQBPDSTUEAAAGM-ZDUSSCGKSA-N
MW243.33 g/mol
LogP3.46
Rot. Bonds3

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

(4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 10977663) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID10977663
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(Cc3cccs3)=N2)cc1
InChIInChI=1S/C14H13NOS/c1-2-5-11(6-3-1)13-10-16-14(15-13)9-12-7-4-8-17-12/h1-8,13H,9-10H2/t13-/m0/s1
InChIKeyPQBPDSTUEAAAGM-ZDUSSCGKSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole (CID 10977663) is (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole is c1ccc([C@@H]2COC(Cc3cccs3)=N2)cc1.
What is the InChIKey of (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PQBPDSTUEAAAGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13NOS/c1-2-5-11(6-3-1)13-10-16-14(15-13)9-12-7-4-8-17-12/h1-8,13H,9-10H2/t13-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 243.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10977663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).