N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide

C16H21N3O3 — CID 17101380

IUPACN-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C16H21N3O3/c1-4-5-10-14(20)17-11(2)16-18-15(19-22-16)12-8-6-7-9-13(12)21-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyLXLHIBYKKSBXOM-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.11
Rot. Bonds7

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

N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide (PubChem CID 17101380) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
PubChem CID17101380
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C16H21N3O3/c1-4-5-10-14(20)17-11(2)16-18-15(19-22-16)12-8-6-7-9-13(12)21-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyLXLHIBYKKSBXOM-UHFFFAOYSA-N
XLogP3.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119342802
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 119817224
N-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449613
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124886787
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 124886793
1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea
CID 96566034
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 125168277
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119817239
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide (CID 17101380) is N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide is CCCCC(=O)NC(C)c1nc(-c2ccccc2OC)no1.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
The InChIKey is LXLHIBYKKSBXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-5-10-14(20)17-11(2)16-18-15(19-22-16)12-8-6-7-9-13(12)21-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide has a molecular weight of 303.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide is sourced from PubChem (CID 17101380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).