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

C17H24N4O3 — CID 86908909

IUPACN,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C17H24N4O3/c1-5-21(6-2)16(22)12-20(3)11-15-18-17(19-24-15)13-7-9-14(23-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3
InChIKeyANCFAUQCXDQLJA-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.05
Rot. Bonds8

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

N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (PubChem CID 86908909) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
PubChem CID86908909
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C17H24N4O3/c1-5-21(6-2)16(22)12-20(3)11-15-18-17(19-24-15)13-7-9-14(23-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3
InChIKeyANCFAUQCXDQLJA-UHFFFAOYSA-N
XLogP2.05
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 8836183
3-tert-butyl-1-ethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895859
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propoxybenzamide
CID 8778966
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide
CID 6464149
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677
(2S)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 8875213
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
CID 46650148
N-ethyl-2-(4-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6494951

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (CID 86908909) is N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is CCN(CC)C(=O)CN(C)Cc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The InChIKey is ANCFAUQCXDQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-21(6-2)16(22)12-20(3)11-15-18-17(19-24-15)13-7-9-14(23-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 86908909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).