N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide

C21H22N2O3 — CID 24533971

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
SMILESCCC(Oc1ccc(-c2ccc(C)cc2)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C21H22N2O3/c1-4-19(21(24)22-20-13-15(3)26-23-20)25-18-11-9-17(10-12-18)16-7-5-14(2)6-8-16/h5-13,19H,4H2,1-3H3,(H,22,23,24)
InChIKeyIBCBYSYUQSMALI-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.75
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide (PubChem CID 24533971) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
PubChem CID24533971
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
SMILESCCC(Oc1ccc(-c2ccc(C)cc2)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C21H22N2O3/c1-4-19(21(24)22-20-13-15(3)26-23-20)25-18-11-9-17(10-12-18)16-7-5-14(2)6-8-16/h5-13,19H,4H2,1-3H3,(H,22,23,24)
InChIKeyIBCBYSYUQSMALI-UHFFFAOYSA-N
XLogP4.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 95354548
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
(2R)-2-(4-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 27233380
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 3163982
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide
CID 46650326
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
(2R)-2-(4-fluorophenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]butanamide
CID 40775968
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethylbenzoate
CID 41037166
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide (CID 24533971) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide is CCC(Oc1ccc(-c2ccc(C)cc2)cc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide?
The InChIKey is IBCBYSYUQSMALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-19(21(24)22-20-13-15(3)26-23-20)25-18-11-9-17(10-12-18)16-7-5-14(2)6-8-16/h5-13,19H,4H2,1-3H3,(H,22,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide has a molecular weight of 350.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide is sourced from PubChem (CID 24533971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).