2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C22H26N4O4 — CID 92687622

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCOCCCN(C(=O)Cc1nc(-c2ccc(OC)cc2)no1)[C@@H](C)c1ccncc1
InChIInChI=1S/C22H26N4O4/c1-16(17-9-11-23-12-10-17)26(13-4-14-28-2)21(27)15-20-24-22(25-30-20)18-5-7-19(29-3)8-6-18/h5-12,16H,4,13-15H2,1-3H3/t16-/m0/s1
InChIKeyXFSBLADKQIUTAP-INIZCTEOSA-N
MW410.47 g/mol
LogP3.31
Rot. Bonds10

About 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 92687622) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID92687622
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCOCCCN(C(=O)Cc1nc(-c2ccc(OC)cc2)no1)[C@@H](C)c1ccncc1
InChIInChI=1S/C22H26N4O4/c1-16(17-9-11-23-12-10-17)26(13-4-14-28-2)21(27)15-20-24-22(25-30-20)18-5-7-19(29-3)8-6-18/h5-12,16H,4,13-15H2,1-3H3/t16-/m0/s1
InChIKeyXFSBLADKQIUTAP-INIZCTEOSA-N
XLogP3.31
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
CID 83280002
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46523344
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2997308
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593250
1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea
CID 4070233
N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
CID 55881198
N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71881004
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-pyridin-4-ylsulfanylacetate
CID 46856730

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 92687622) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is COCCCN(C(=O)Cc1nc(-c2ccc(OC)cc2)no1)[C@@H](C)c1ccncc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is XFSBLADKQIUTAP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-16(17-9-11-23-12-10-17)26(13-4-14-28-2)21(27)15-20-24-22(25-30-20)18-5-7-19(29-3)8-6-18/h5-12,16H,4,13-15H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 92687622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).