(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole

C19H15N3O3 — CID 58126017

IUPAC(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESc1cncc(OC2=NO[C@@H](c3ccc(Oc4cccnc4)cc3)C2)c1
InChIInChI=1S/C19H15N3O3/c1-3-16(12-20-9-1)23-15-7-5-14(6-8-15)18-11-19(22-25-18)24-17-4-2-10-21-13-17/h1-10,12-13,18H,11H2/t18-/m1/s1
InChIKeyMKZNARDKDNZMCA-GOSISDBHSA-N
MW333.35 g/mol
LogP4.12
Rot. Bonds4

About (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole

(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 58126017) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID58126017
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESc1cncc(OC2=NO[C@@H](c3ccc(Oc4cccnc4)cc3)C2)c1
InChIInChI=1S/C19H15N3O3/c1-3-16(12-20-9-1)23-15-7-5-14(6-8-15)18-11-19(22-25-18)24-17-4-2-10-21-13-17/h1-10,12-13,18H,11H2/t18-/m1/s1
InChIKeyMKZNARDKDNZMCA-GOSISDBHSA-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 (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole (CID 58126017) is (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole is c1cncc(OC2=NO[C@@H](c3ccc(Oc4cccnc4)cc3)C2)c1.
What is the InChIKey of (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is MKZNARDKDNZMCA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-3-16(12-20-9-1)23-15-7-5-14(6-8-15)18-11-19(22-25-18)24-17-4-2-10-21-13-17/h1-10,12-13,18H,11H2/t18-/m1/s1.
What are the key properties of (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole?
(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-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 (5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).