(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C19H21N3O3 — CID 94806001

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3nc(C)no3)ccc2c1
InChIInChI=1S/C19H21N3O3/c1-11(18(23)20-12(2)19-21-13(3)22-25-19)14-5-6-16-10-17(24-4)8-7-15(16)9-14/h5-12H,1-4H3,(H,20,23)/t11-,12+/m0/s1
InChIKeyPXIJEKLNIOCPGJ-NWDGAFQWSA-N
MW339.40 g/mol
LogP3.52
Rot. Bonds5

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 94806001) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID94806001
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3nc(C)no3)ccc2c1
InChIInChI=1S/C19H21N3O3/c1-11(18(23)20-12(2)19-21-13(3)22-25-19)14-5-6-16-10-17(24-4)8-7-15(16)9-14/h5-12H,1-4H3,(H,20,23)/t11-,12+/m0/s1
InChIKeyPXIJEKLNIOCPGJ-NWDGAFQWSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 24545440
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18112945
2,4-dimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 51729270
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
CID 120507302
methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
CID 14178708
1-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 167881325
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 55937335
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 94806001) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3nc(C)no3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is PXIJEKLNIOCPGJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11(18(23)20-12(2)19-21-13(3)22-25-19)14-5-6-16-10-17(24-4)8-7-15(16)9-14/h5-12H,1-4H3,(H,20,23)/t11-,12+/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 94806001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).