3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide

C20H22N4O4 — CID 96528492

IUPAC3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide
SMILESCO[C@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)n1
InChIInChI=1S/C20H22N4O4/c1-13-4-7-16(8-5-13)27-18-10-6-15(12-21-18)22-17(25)9-11-19-23-20(24-28-19)14(2)26-3/h4-8,10,12,14H,9,11H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyRXQPSNWCNCWBKB-CQSZACIVSA-N
MW382.42 g/mol
LogP3.84
Rot. Bonds8

About 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide

3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide (PubChem CID 96528492) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide
PubChem CID96528492
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide
SMILESCO[C@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)n1
InChIInChI=1S/C20H22N4O4/c1-13-4-7-16(8-5-13)27-18-10-6-15(12-21-18)22-17(25)9-11-19-23-20(24-28-19)14(2)26-3/h4-8,10,12,14H,9,11H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyRXQPSNWCNCWBKB-CQSZACIVSA-N
XLogP3.84
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide with MolForge

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Related Compounds

N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55787626
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55787663
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
CID 96528499
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide?
The IUPAC name of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide (CID 96528492) is 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide?
The canonical SMILES for 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide is CO[C@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)n1.
What is the InChIKey of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide?
The InChIKey is RXQPSNWCNCWBKB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-4-7-16(8-5-13)27-18-10-6-15(12-21-18)22-17(25)9-11-19-23-20(24-28-19)14(2)26-3/h4-8,10,12,14H,9,11H2,1-3H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide?
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide has a molecular weight of 382.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 96528492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).