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

C24H17N3O3S — CID 30331909

IUPAC2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C24H17N3O3S/c28-22(15-29-18-12-11-16-6-1-2-7-17(16)14-18)25-20-9-4-3-8-19(20)24-26-23(27-30-24)21-10-5-13-31-21/h1-14H,15H2,(H,25,28)
InChIKeyKARMSCCBTDZWOI-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.64
Rot. Bonds6

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

2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 30331909) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID30331909
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC Name2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C24H17N3O3S/c28-22(15-29-18-12-11-16-6-1-2-7-17(16)14-18)25-20-9-4-3-8-19(20)24-26-23(27-30-24)21-10-5-13-31-21/h1-14H,15H2,(H,25,28)
InChIKeyKARMSCCBTDZWOI-UHFFFAOYSA-N
XLogP5.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 3581588
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331603
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 30331853
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331308
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30333561
5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30332060
2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331126
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 30331909) is 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is O=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is KARMSCCBTDZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-22(15-29-18-12-11-16-6-1-2-7-17(16)14-18)25-20-9-4-3-8-19(20)24-26-23(27-30-24)21-10-5-13-31-21/h1-14H,15H2,(H,25,28).
What are the key properties of 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 30331909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).