(5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole

C17H14N4O2 — CID 123743793

IUPAC(5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(n2cncn2)NO[C@@H]1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14N4O2/c1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-17(20-23-16)21-12-18-11-19-21/h1-12,16,20H/t16-/m0/s1
InChIKeyYCDOCUJGTWCUQF-INIZCTEOSA-N
MW306.33 g/mol
LogP3.14
Rot. Bonds4

About (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole

(5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole (PubChem CID 123743793) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole
PubChem CID123743793
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name(5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(n2cncn2)NO[C@@H]1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14N4O2/c1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-17(20-23-16)21-12-18-11-19-21/h1-12,16,20H/t16-/m0/s1
InChIKeyYCDOCUJGTWCUQF-INIZCTEOSA-N
XLogP3.14
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
CID 123218116
(5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
CID 123530884
3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
CID 91516612
6-[[(5R)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]furo[3,2-b]pyridine
CID 123239986
5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
CID 123773067
methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate
CID 123865223
(4-phenoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146052
1-[1-(4-fluorophenyl)-2,2-dimethyl-1-(4-phenoxyphenyl)propyl]-1,2,4-triazole
CID 21332026
7-[3-(1,2,4-triazol-1-yl)phenoxy]-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine
CID 90986135
acetylene;1-phenyl-1,2,4-triazole;propane
CID 142158899
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
N-methyl-4-phenoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55383558

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole (CID 123743793) is (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole is C1=C(n2cncn2)NO[C@@H]1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole?
The InChIKey is YCDOCUJGTWCUQF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-17(20-23-16)21-12-18-11-19-21/h1-12,16,20H/t16-/m0/s1.
What are the key properties of (5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole?
(5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole has a molecular weight of 306.33 g/mol, XLogP of 3.14, 4 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-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123743793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).