(2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

C24H29N3O3 — CID 97267578

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C24H29N3O3/c1-6-20(29-19-12-10-18(11-13-19)24(3,4)5)23(28)25-15-21-26-22(27-30-21)17-9-7-8-16(2)14-17/h7-14,20H,6,15H2,1-5H3,(H,25,28)/t20-/m1/s1
InChIKeyNSSJXYLOEOSNNY-HXUWFJFHSA-N
MW407.51 g/mol
LogP4.82
Rot. Bonds7

About (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

(2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (PubChem CID 97267578) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
PubChem CID97267578
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C24H29N3O3/c1-6-20(29-19-12-10-18(11-13-19)24(3,4)5)23(28)25-15-21-26-22(27-30-21)17-9-7-8-16(2)14-17/h7-14,20H,6,15H2,1-5H3,(H,25,28)/t20-/m1/s1
InChIKeyNSSJXYLOEOSNNY-HXUWFJFHSA-N
XLogP4.82
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide with MolForge

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Related Compounds

2-(4-tert-butylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132663051
2-(3-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658212
2-(4-methoxyphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132657251
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230
2-(3-chlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658213
2-(4-chloro-3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132661134
2-(2,5-dimethylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132656930
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 6462939
2-(2-fluorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658091
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267394
2-(2,4-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 50875003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (CID 97267578) is (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The InChIKey is NSSJXYLOEOSNNY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-6-20(29-19-12-10-18(11-13-19)24(3,4)5)23(28)25-15-21-26-22(27-30-21)17-9-7-8-16(2)14-17/h7-14,20H,6,15H2,1-5H3,(H,25,28)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
(2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide has a molecular weight of 407.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 97267578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).