(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide

C23H25N3O3 — CID 8894838

IUPAC(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C23H25N3O3/c1-5-13-26(23(27)18(4)28-20-8-6-7-17(3)14-20)15-21-24-22(25-29-21)19-11-9-16(2)10-12-19/h5-12,14,18H,1,13,15H2,2-4H3/t18-/m0/s1
InChIKeyBARKXJBEENWJRP-SFHVURJKSA-N
MW391.47 g/mol
LogP4.34
Rot. Bonds8

About (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide

(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide (PubChem CID 8894838) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide
PubChem CID8894838
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C23H25N3O3/c1-5-13-26(23(27)18(4)28-20-8-6-7-17(3)14-20)15-21-24-22(25-29-21)19-11-9-16(2)10-12-19/h5-12,14,18H,1,13,15H2,2-4H3/t18-/m0/s1
InChIKeyBARKXJBEENWJRP-SFHVURJKSA-N
XLogP4.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpropanamide
CID 8894930
3-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835655
(2S)-2-(3,5-dimethylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267542
(2S)-2-(3-chlorophenoxy)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8875176
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8875301
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxy-N-propan-2-ylpropanamide
CID 40603676
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132657248
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxypropanamide
CID 8874772
2,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylbenzamide
CID 8875297
3-(4-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea
CID 17325317
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
CID 3899843
(2R)-2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 7425589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide (CID 8894838) is (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide is C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H](C)Oc1cccc(C)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide?
The InChIKey is BARKXJBEENWJRP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-5-13-26(23(27)18(4)28-20-8-6-7-17(3)14-20)15-21-24-22(25-29-21)19-11-9-16(2)10-12-19/h5-12,14,18H,1,13,15H2,2-4H3/t18-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide?
(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide has a molecular weight of 391.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 8894838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).