(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one

C18H16N2O3 — CID 8528170

IUPAC(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
SMILESCc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-3-5-14(6-4-12)17(21)13(2)23-16-9-7-15(8-10-16)18-20-19-11-22-18/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyNXFOYBHBFRETBQ-CYBMUJFWSA-N
MW308.34 g/mol
LogP3.70
Rot. Bonds5

About (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one

(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one (PubChem CID 8528170) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
PubChem CID8528170
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
SMILESCc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-3-5-14(6-4-12)17(21)13(2)23-16-9-7-15(8-10-16)18-20-19-11-22-18/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyNXFOYBHBFRETBQ-CYBMUJFWSA-N
XLogP3.70
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 8528155
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
(2S)-N-cyclopropyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528191
(2R)-1-(azepan-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 40844528
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528203
4-[4-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 7670579
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 40693368
N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17409257
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 7556105
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(1,3,4-oxadiazol-2-yl)benzoate
CID 8999415

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
The IUPAC name of (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one (CID 8528170) is (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one.
What is the SMILES notation for (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
The canonical SMILES for (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one is Cc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
The InChIKey is NXFOYBHBFRETBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-3-5-14(6-4-12)17(21)13(2)23-16-9-7-15(8-10-16)18-20-19-11-22-18/h3-11,13H,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one has a molecular weight of 308.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one is sourced from PubChem (CID 8528170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).