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

C19H15N3O3 — CID 58126495

IUPAC(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
SMILESc1ccc(Oc2ccc([C@@H]3CC(Oc4cncnc4)=NO3)cc2)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/h1-9,11-13,18H,10H2/t18-/m0/s1
InChIKeyVCDMKDPDBYHFHV-SFHVURJKSA-N
MW333.35 g/mol
LogP4.12
Rot. Bonds4

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

(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole (PubChem CID 58126495) 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-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
PubChem CID58126495
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
SMILESc1ccc(Oc2ccc([C@@H]3CC(Oc4cncnc4)=NO3)cc2)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/h1-9,11-13,18H,10H2/t18-/m0/s1
InChIKeyVCDMKDPDBYHFHV-SFHVURJKSA-N
XLogP4.12
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
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-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole (CID 58126495) is (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole is c1ccc(Oc2ccc([C@@H]3CC(Oc4cncnc4)=NO3)cc2)cc1.
What is the InChIKey of (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole?
The InChIKey is VCDMKDPDBYHFHV-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/h1-9,11-13,18H,10H2/t18-/m0/s1.
What are the key properties of (5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole?
(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole has a molecular weight of 333.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 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-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).