N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide

C27H29N3O3 — CID 162650909

IUPACN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4c3)no2)C(C)C)cc1
InChIInChI=1S/C27H29N3O3/c1-4-7-20-10-14-24(15-11-20)32-18-26(31)30(19(2)3)17-25-28-27(29-33-25)23-13-12-21-8-5-6-9-22(21)16-23/h5-6,8-16,19H,4,7,17-18H2,1-3H3
InChIKeyXIEBYNYDQJPHFB-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.66
Rot. Bonds9

About N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide

N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide (PubChem CID 162650909) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
PubChem CID162650909
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4c3)no2)C(C)C)cc1
InChIInChI=1S/C27H29N3O3/c1-4-7-20-10-14-24(15-11-20)32-18-26(31)30(19(2)3)17-25-28-27(29-33-25)23-13-12-21-8-5-6-9-22(21)16-23/h5-6,8-16,19H,4,7,17-18H2,1-3H3
InChIKeyXIEBYNYDQJPHFB-UHFFFAOYSA-N
XLogP5.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide (CID 162650909) is N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4c3)no2)C(C)C)cc1.
What is the InChIKey of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The InChIKey is XIEBYNYDQJPHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-4-7-20-10-14-24(15-11-20)32-18-26(31)30(19(2)3)17-25-28-27(29-33-25)23-13-12-21-8-5-6-9-22(21)16-23/h5-6,8-16,19H,4,7,17-18H2,1-3H3.
What are the key properties of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide has a molecular weight of 443.55 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 162650909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).