(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole

C19H15N3O3 — CID 123218116

IUPAC(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
SMILESC1=C(Oc2cncnc2)NO[C@@H]1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H15N3O3/c1-2-4-15(5-3-1)23-16-8-6-14(7-9-16)18-10-19(22-25-18)24-17-11-20-13-21-12-17/h1-13,18,22H/t18-/m0/s1
InChIKeyOSMBVURTHMDLHQ-SFHVURJKSA-N
MW333.35 g/mol
LogP3.77
Rot. Bonds5

About (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole

(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole (PubChem CID 123218116) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
PubChem CID123218116
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
SMILESC1=C(Oc2cncnc2)NO[C@@H]1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H15N3O3/c1-2-4-15(5-3-1)23-16-8-6-14(7-9-16)18-10-19(22-25-18)24-17-11-20-13-21-12-17/h1-13,18,22H/t18-/m0/s1
InChIKeyOSMBVURTHMDLHQ-SFHVURJKSA-N
XLogP3.77
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole (CID 123218116) is (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole is C1=C(Oc2cncnc2)NO[C@@H]1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The InChIKey is OSMBVURTHMDLHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-4-15(5-3-1)23-16-8-6-14(7-9-16)18-10-19(22-25-18)24-17-11-20-13-21-12-17/h1-13,18,22H/t18-/m0/s1.
What are the key properties of (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole has a molecular weight of 333.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123218116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).