(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole

C19H15N3O2 — CID 58126472

IUPAC(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
SMILESc1ccc(-c2ccc([C@H]3CC(Oc4cncnc4)=NO3)cc2)cc1
InChIInChI=1S/C19H15N3O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-10-19(22-24-18)23-17-11-20-13-21-12-17/h1-9,11-13,18H,10H2/t18-/m1/s1
InChIKeyWYJNPMHCBQUUSI-GOSISDBHSA-N
MW317.35 g/mol
LogP4.00
Rot. Bonds3

About (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole

(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole (PubChem CID 58126472) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
PubChem CID58126472
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
SMILESc1ccc(-c2ccc([C@H]3CC(Oc4cncnc4)=NO3)cc2)cc1
InChIInChI=1S/C19H15N3O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-10-19(22-24-18)23-17-11-20-13-21-12-17/h1-9,11-13,18H,10H2/t18-/m1/s1
InChIKeyWYJNPMHCBQUUSI-GOSISDBHSA-N
XLogP4.00
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 58126495
(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 58126595
(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 162121836
(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126017
(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126206
bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 159921333
5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 155353353
5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxylic acid
CID 88979428
2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
CID 159974072
(5S)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 89012489
methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate
CID 88979364
(5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126286

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole (CID 58126472) is (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole is c1ccc(-c2ccc([C@H]3CC(Oc4cncnc4)=NO3)cc2)cc1.
What is the InChIKey of (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole?
The InChIKey is WYJNPMHCBQUUSI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-10-19(22-24-18)23-17-11-20-13-21-12-17/h1-9,11-13,18H,10H2/t18-/m1/s1.
What are the key properties of (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole?
(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole has a molecular weight of 317.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).