N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C23H21N3O3 — CID 132658557

IUPACN-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H21N3O3/c1-16(28-20-14-8-12-17-9-6-7-13-19(17)20)23(27)26(2)15-21-24-22(25-29-21)18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3
InChIKeyKBLFECIQYTXHNR-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.32
Rot. Bonds6

About N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 132658557) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID132658557
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H21N3O3/c1-16(28-20-14-8-12-17-9-6-7-13-19(17)20)23(27)26(2)15-21-24-22(25-29-21)18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3
InChIKeyKBLFECIQYTXHNR-UHFFFAOYSA-N
XLogP4.32
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-yloxypropanamide
CID 132661531
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-naphthalen-1-yloxypropanamide
CID 132665420
(2S)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 97267437
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)-N-methylpropanamide
CID 97267527
2-(2-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 132661581
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874769
(2S)-2-(2-chlorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 97267417
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133163789
(2S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100629800
(2R)-2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 7425589

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 132658557) is N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is KBLFECIQYTXHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(28-20-14-8-12-17-9-6-7-13-19(17)20)23(27)26(2)15-21-24-22(25-29-21)18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3.
What are the key properties of N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 132658557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).