(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide

C19H19N3O3 — CID 97414222

IUPAC(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide
SMILESCc1noc(Cc2ccccc2NC(=O)[C@H](C)Oc2ccccc2)n1
InChIInChI=1S/C19H19N3O3/c1-13(24-16-9-4-3-5-10-16)19(23)21-17-11-7-6-8-15(17)12-18-20-14(2)22-25-18/h3-11,13H,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyJAGMWIKYHJHUCA-ZDUSSCGKSA-N
MW337.38 g/mol
LogP3.37
Rot. Bonds6

About (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide

(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide (PubChem CID 97414222) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide
PubChem CID97414222
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide
SMILESCc1noc(Cc2ccccc2NC(=O)[C@H](C)Oc2ccccc2)n1
InChIInChI=1S/C19H19N3O3/c1-13(24-16-9-4-3-5-10-16)19(23)21-17-11-7-6-8-15(17)12-18-20-14(2)22-25-18/h3-11,13H,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyJAGMWIKYHJHUCA-ZDUSSCGKSA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
CID 97414224
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562023
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide (CID 97414222) is (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide is Cc1noc(Cc2ccccc2NC(=O)[C@H](C)Oc2ccccc2)n1.
What is the InChIKey of (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide?
The InChIKey is JAGMWIKYHJHUCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(24-16-9-4-3-5-10-16)19(23)21-17-11-7-6-8-15(17)12-18-20-14(2)22-25-18/h3-11,13H,12H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide?
(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 97414222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).