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

C25H25N3O3 — CID 8874661

IUPACN-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C25H25N3O3/c1-25(2,3)28(16-22-26-24(27-31-22)19-11-5-4-6-12-19)23(29)17-30-21-15-9-13-18-10-7-8-14-20(18)21/h4-15H,16-17H2,1-3H3
InChIKeyQFDMRMWOJURDTR-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.10
Rot. Bonds6

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

N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 8874661) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID8874661
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C25H25N3O3/c1-25(2,3)28(16-22-26-24(27-31-22)19-11-5-4-6-12-19)23(29)17-30-21-15-9-13-18-10-7-8-14-20(18)21/h4-15H,16-17H2,1-3H3
InChIKeyQFDMRMWOJURDTR-UHFFFAOYSA-N
XLogP5.10
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7693886
2-(2-chlorophenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6462945
5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132658557
2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2984807
(2S)-N-tert-butyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 40963684
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836537
N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836434
5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 8875029
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641
N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 6485271

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 8874661) is N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is QFDMRMWOJURDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-25(2,3)28(16-22-26-24(27-31-22)19-11-5-4-6-12-19)23(29)17-30-21-15-9-13-18-10-7-8-14-20(18)21/h4-15H,16-17H2,1-3H3.
What are the key properties of N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 8874661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).