N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide

C14H18N4O3 — CID 106417232

IUPACN-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCOc1cccc(NC(=O)CNCCc2nc(C)no2)c1
InChIInChI=1S/C14H18N4O3/c1-10-16-14(21-18-10)6-7-15-9-13(19)17-11-4-3-5-12(8-11)20-2/h3-5,8,15H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyFPPRVAMZJHCXJF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.16
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide

N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide (PubChem CID 106417232) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
PubChem CID106417232
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCOc1cccc(NC(=O)CNCCc2nc(C)no2)c1
InChIInChI=1S/C14H18N4O3/c1-10-16-14(21-18-10)6-7-15-9-13(19)17-11-4-3-5-12(8-11)20-2/h3-5,8,15H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyFPPRVAMZJHCXJF-UHFFFAOYSA-N
XLogP1.16
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
CID 106047194
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
2-(4-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106416674
4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol
CID 103922840
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide (CID 106417232) is N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide is COc1cccc(NC(=O)CNCCc2nc(C)no2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The InChIKey is FPPRVAMZJHCXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10-16-14(21-18-10)6-7-15-9-13(19)17-11-4-3-5-12(8-11)20-2/h3-5,8,15H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 106417232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).