3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide

C20H22N4O4 — CID 96528499

IUPAC3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
SMILESCO[C@H](C)c1noc(CCC(=O)NCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C20H22N4O4/c1-13(27-2)20-23-19(28-24-20)11-10-17(25)21-12-18(26)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13H,10-12H2,1-2H3,(H,21,25)(H,22,26)/t13-/m1/s1
InChIKeyCJKLEUBQDXMBCL-CYBMUJFWSA-N
MW382.42 g/mol
LogP2.62
Rot. Bonds8

About 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide

3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide (PubChem CID 96528499) 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-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
PubChem CID96528499
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
SMILESCO[C@H](C)c1noc(CCC(=O)NCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C20H22N4O4/c1-13(27-2)20-23-19(28-24-20)11-10-17(25)21-12-18(26)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13H,10-12H2,1-2H3,(H,21,25)(H,22,26)/t13-/m1/s1
InChIKeyCJKLEUBQDXMBCL-CYBMUJFWSA-N
XLogP2.62
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 96528830
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120882839
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide
CID 96528492
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide (CID 96528499) is 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide is CO[C@H](C)c1noc(CCC(=O)NCC(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide?
The InChIKey is CJKLEUBQDXMBCL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13(27-2)20-23-19(28-24-20)11-10-17(25)21-12-18(26)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13H,10-12H2,1-2H3,(H,21,25)(H,22,26)/t13-/m1/s1.
What are the key properties of 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide?
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 96528499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).