(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide

C22H25N3O3 — CID 34953133

IUPAC(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C22H25N3O3/c1-13(2)17-8-10-19(11-9-17)27-16(5)22(26)23-21-20(24-28-25-21)18-7-6-14(3)15(4)12-18/h6-13,16H,1-5H3,(H,23,25,26)/t16-/m0/s1
InChIKeyCZOJTKRDUCIRLL-INIZCTEOSA-N
MW379.46 g/mol
LogP4.88
Rot. Bonds6

About (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide

(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 34953133) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID34953133
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C22H25N3O3/c1-13(2)17-8-10-19(11-9-17)27-16(5)22(26)23-21-20(24-28-25-21)18-7-6-14(3)15(4)12-18/h6-13,16H,1-5H3,(H,23,25,26)/t16-/m0/s1
InChIKeyCZOJTKRDUCIRLL-INIZCTEOSA-N
XLogP4.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40871934
(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126571
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19244469
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
CID 17014592
2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126360
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 7677437
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide
CID 19244632
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
2-(2-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014047
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide (CID 34953133) is (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide is Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is CZOJTKRDUCIRLL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13(2)17-8-10-19(11-9-17)27-16(5)22(26)23-21-20(24-28-25-21)18-7-6-14(3)15(4)12-18/h6-13,16H,1-5H3,(H,23,25,26)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 379.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 34953133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).