N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide

C18H18N4O2 — CID 166545161

IUPACN-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1noc([C@@H]2CCCN2)n1)c1cccc2ccccc12
InChIInChI=1S/C18H18N4O2/c23-17(14-8-3-6-12-5-1-2-7-13(12)14)20-11-16-21-18(24-22-16)15-9-4-10-19-15/h1-3,5-8,15,19H,4,9-11H2,(H,20,23)/t15-/m0/s1
InChIKeyFZJIAUBYJQRCAQ-HNNXBMFYSA-N
MW322.37 g/mol
LogP2.58
Rot. Bonds4

About N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide

N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 166545161) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID166545161
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1noc([C@@H]2CCCN2)n1)c1cccc2ccccc12
InChIInChI=1S/C18H18N4O2/c23-17(14-8-3-6-12-5-1-2-7-13(12)14)20-11-16-21-18(24-22-16)15-9-4-10-19-15/h1-3,5-8,15,19H,4,9-11H2,(H,20,23)/t15-/m0/s1
InChIKeyFZJIAUBYJQRCAQ-HNNXBMFYSA-N
XLogP2.58
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106895984
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 50755143
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742136
N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742485
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125435120
2-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)acetaldehyde
CID 115077838
N-(2-pyridin-2-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971284
3-[(3-bromophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93244202
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
N-[(5-methylpyrazin-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742280

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide (CID 166545161) is N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide is O=C(NCc1noc([C@@H]2CCCN2)n1)c1cccc2ccccc12.
What is the InChIKey of N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is FZJIAUBYJQRCAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(14-8-3-6-12-5-1-2-7-13(12)14)20-11-16-21-18(24-22-16)15-9-4-10-19-15/h1-3,5-8,15,19H,4,9-11H2,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide?
N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 166545161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).