(5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole

C18H15N3O2S — CID 58126769

IUPAC(5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole
SMILESC[C@]1(c2cnc(-c3ccccc3)s2)CC(Oc2cccnc2)=NO1
InChIInChI=1S/C18H15N3O2S/c1-18(10-16(21-23-18)22-14-8-5-9-19-11-14)15-12-20-17(24-15)13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3/t18-/m1/s1
InChIKeyCKUHFTHHRVZOMD-GOSISDBHSA-N
MW337.40 g/mol
LogP4.23
Rot. Bonds3

About (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole

(5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole (PubChem CID 58126769) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole
PubChem CID58126769
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name(5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole
SMILESC[C@]1(c2cnc(-c3ccccc3)s2)CC(Oc2cccnc2)=NO1
InChIInChI=1S/C18H15N3O2S/c1-18(10-16(21-23-18)22-14-8-5-9-19-11-14)15-12-20-17(24-15)13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3/t18-/m1/s1
InChIKeyCKUHFTHHRVZOMD-GOSISDBHSA-N
XLogP4.23
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole?
The IUPAC name of (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole (CID 58126769) is (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole.
What is the SMILES notation for (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole?
The canonical SMILES for (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole is C[C@]1(c2cnc(-c3ccccc3)s2)CC(Oc2cccnc2)=NO1.
What is the InChIKey of (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole?
The InChIKey is CKUHFTHHRVZOMD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-18(10-16(21-23-18)22-14-8-5-9-19-11-14)15-12-20-17(24-15)13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole?
(5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole has a molecular weight of 337.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-yloxy-4H-1,2-oxazole is sourced from PubChem (CID 58126769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).