2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C20H19N3O3 — CID 4595224

IUPAC2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C20H19N3O3/c1-25-17-9-5-4-8-16(17)18(24)21-20-23-22-19(26-20)15-11-10-13-6-2-3-7-14(13)12-15/h4-5,8-12H,2-3,6-7H2,1H3,(H,21,23,24)
InChIKeyXAIUCROIDCTUSI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.88
Rot. Bonds4

About 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4595224) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4595224
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C20H19N3O3/c1-25-17-9-5-4-8-16(17)18(24)21-20-23-22-19(26-20)15-11-10-13-6-2-3-7-14(13)12-15/h4-5,8-12H,2-3,6-7H2,1H3,(H,21,23,24)
InChIKeyXAIUCROIDCTUSI-UHFFFAOYSA-N
XLogP3.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4595224) is 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1.
What is the InChIKey of 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is XAIUCROIDCTUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-17-9-5-4-8-16(17)18(24)21-20-23-22-19(26-20)15-11-10-13-6-2-3-7-14(13)12-15/h4-5,8-12H,2-3,6-7H2,1H3,(H,21,23,24).
What are the key properties of 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4595224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).