3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole

C18H18N2O — CID 803156

IUPAC3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
SMILESCC[C@@H](c1ccccc1)c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C18H18N2O/c1-3-16(14-7-5-4-6-8-14)18-19-17(20-21-18)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3/t16-/m0/s1
InChIKeyUCCJOJRKDACUAW-INIZCTEOSA-N
MW278.36 g/mol
LogP4.59
Rot. Bonds4

About 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole (PubChem CID 803156) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
PubChem CID803156
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
SMILESCC[C@@H](c1ccccc1)c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C18H18N2O/c1-3-16(14-7-5-4-6-8-14)18-19-17(20-21-18)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3/t16-/m0/s1
InChIKeyUCCJOJRKDACUAW-INIZCTEOSA-N
XLogP4.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 2923172
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884702
5-(1-phenylpropyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944290
3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 103095669
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole
CID 166327587
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120833726
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole (CID 803156) is 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole is CC[C@@H](c1ccccc1)c1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole?
The InChIKey is UCCJOJRKDACUAW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-16(14-7-5-4-6-8-14)18-19-17(20-21-18)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole has a molecular weight of 278.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 803156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).