N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide

C18H26N4O3 — CID 86857354

IUPACN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC(C)(C)c2noc(CN(C)C)n2)c1
InChIInChI=1S/C18H26N4O3/c1-12-8-7-9-14(10-12)24-13(2)16(23)20-18(3,4)17-19-15(25-21-17)11-22(5)6/h7-10,13H,11H2,1-6H3,(H,20,23)
InChIKeyFIPWFFSMGWQAOQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.26
Rot. Bonds7

About N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide

N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 86857354) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide
PubChem CID86857354
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC(C)(C)c2noc(CN(C)C)n2)c1
InChIInChI=1S/C18H26N4O3/c1-12-8-7-9-14(10-12)24-13(2)16(23)20-18(3,4)17-19-15(25-21-17)11-22(5)6/h7-10,13H,11H2,1-6H3,(H,20,23)
InChIKeyFIPWFFSMGWQAOQ-UHFFFAOYSA-N
XLogP2.26
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
CID 119860728
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylphenoxy)propanamide
CID 8894845
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132657248
2-(3-methylphenoxy)propanehydrazide
CID 3021693
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230
2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
CID 55678624
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide
CID 8894838
(2R)-2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 7425589
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxy-N-propan-2-ylpropanamide
CID 40603676

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide (CID 86857354) is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NC(C)(C)c2noc(CN(C)C)n2)c1.
What is the InChIKey of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is FIPWFFSMGWQAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-8-7-9-14(10-12)24-13(2)16(23)20-18(3,4)17-19-15(25-21-17)11-22(5)6/h7-10,13H,11H2,1-6H3,(H,20,23).
What are the key properties of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide?
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 86857354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).