5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole

C18H18N2O2 — CID 42692252

IUPAC5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(2)14-8-10-16(11-9-14)21-12-17-19-18(22-20-17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyPSGONIVUQMZWIT-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.44
Rot. Bonds5

About 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole

5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 42692252) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID42692252
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(2)14-8-10-16(11-9-14)21-12-17-19-18(22-20-17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyPSGONIVUQMZWIT-UHFFFAOYSA-N
XLogP4.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692306
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61035214
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 95716077
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole (CID 42692252) is 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole is CC(C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is PSGONIVUQMZWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(2)14-8-10-16(11-9-14)21-12-17-19-18(22-20-17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 294.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42692252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).