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

C16H21N3O3 — CID 2019912

IUPACN,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)C(=O)CCc1nc(-c2ccccc2OC)no1
InChIInChI=1S/C16H21N3O3/c1-4-19(5-2)15(20)11-10-14-17-16(18-22-14)12-8-6-7-9-13(12)21-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyORHUPFXJZXHGFP-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.55
Rot. Bonds7

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

N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 2019912) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID2019912
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)C(=O)CCc1nc(-c2ccccc2OC)no1
InChIInChI=1S/C16H21N3O3/c1-4-19(5-2)15(20)11-10-14-17-16(18-22-14)12-8-6-7-9-13(12)21-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyORHUPFXJZXHGFP-UHFFFAOYSA-N
XLogP2.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 3721998
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
N-(2-ethoxyphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160360
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 5130333
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46263739

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 2019912) is N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(CC)C(=O)CCc1nc(-c2ccccc2OC)no1.
What is the InChIKey of N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ORHUPFXJZXHGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-19(5-2)15(20)11-10-14-17-16(18-22-14)12-8-6-7-9-13(12)21-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 303.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 2019912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).