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

C23H19N3O2 — CID 19244629

IUPACN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1cccc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-23(20-11-5-9-16-7-3-4-10-19(16)20)24-22-21(25-28-26-22)18-13-12-15-6-1-2-8-17(15)14-18/h3-5,7,9-14H,1-2,6,8H2,(H,24,26,27)
InChIKeyXFGMEAYETOPBPJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.02
Rot. Bonds3

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

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide (PubChem CID 19244629) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
PubChem CID19244629
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1cccc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-23(20-11-5-9-16-7-3-4-10-19(16)20)24-22-21(25-28-26-22)18-13-12-15-6-1-2-8-17(15)14-18/h3-5,7,9-14H,1-2,6,8H2,(H,24,26,27)
InChIKeyXFGMEAYETOPBPJ-UHFFFAOYSA-N
XLogP5.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide (CID 19244629) is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide is O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1cccc2ccccc12.
What is the InChIKey of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is XFGMEAYETOPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(20-11-5-9-16-7-3-4-10-19(16)20)24-22-21(25-28-26-22)18-13-12-15-6-1-2-8-17(15)14-18/h3-5,7,9-14H,1-2,6,8H2,(H,24,26,27).
What are the key properties of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide?
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 19244629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).