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

C15H19N3O3 — CID 7449596

IUPACN-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C15H19N3O3/c1-4-5-13(19)16-10(2)15-17-14(18-21-15)11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyNMPNDROONASLFF-JTQLQIEISA-N
MW289.34 g/mol
LogP2.72
Rot. Bonds6

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

N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide (PubChem CID 7449596) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
PubChem CID7449596
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C15H19N3O3/c1-4-5-13(19)16-10(2)15-17-14(18-21-15)11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyNMPNDROONASLFF-JTQLQIEISA-N
XLogP2.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101380

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The IUPAC name of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide (CID 7449596) is N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide.
What is the SMILES notation for N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The canonical SMILES for N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide is CCCC(=O)N[C@@H](C)c1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The InChIKey is NMPNDROONASLFF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-5-13(19)16-10(2)15-17-14(18-21-15)11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide has a molecular weight of 289.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide is sourced from PubChem (CID 7449596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).