N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C15H17N3O3 — CID 136538177

IUPACN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H17N3O3/c19-14(16-8-7-13-17-15(20)21-18-13)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,19)(H,17,18,20)
InChIKeyKENAZHRCIFRTRY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.21
Rot. Bonds4

About N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 136538177) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID136538177
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H17N3O3/c19-14(16-8-7-13-17-15(20)21-18-13)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,19)(H,17,18,20)
InChIKeyKENAZHRCIFRTRY-UHFFFAOYSA-N
XLogP1.21
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90651661
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110787335
N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 98171882
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 136538177) is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCc1noc(=O)[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KENAZHRCIFRTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(16-8-7-13-17-15(20)21-18-13)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 136538177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).