N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

C19H25N3O3 — CID 97226046

IUPACN-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESC[C@@H](OC1CCCCCC1)c1nc(CNC(=O)c2ccccc2)no1
InChIInChI=1S/C19H25N3O3/c1-14(24-16-11-7-2-3-8-12-16)19-21-17(22-25-19)13-20-18(23)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyKQOHNSYGUKOQML-CQSZACIVSA-N
MW343.43 g/mol
LogP3.80
Rot. Bonds6

About N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 97226046) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID97226046
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESC[C@@H](OC1CCCCCC1)c1nc(CNC(=O)c2ccccc2)no1
InChIInChI=1S/C19H25N3O3/c1-14(24-16-11-7-2-3-8-12-16)19-21-17(22-25-19)13-20-18(23)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyKQOHNSYGUKOQML-CQSZACIVSA-N
XLogP3.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide with MolForge

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Related Compounds

(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide
CID 95630267
6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 26391523
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-indazole-3-carboxamide
CID 86285787
ethyl (3S)-1-[[3-(benzamidomethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxylate
CID 36545910
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040
1-[5-(1-cycloheptyloxyethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859247
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 3480488
2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide
CID 131903974
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
2,5-dioxo-1-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 131918435
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 97226046) is N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is C[C@@H](OC1CCCCCC1)c1nc(CNC(=O)c2ccccc2)no1.
What is the InChIKey of N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is KQOHNSYGUKOQML-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(24-16-11-7-2-3-8-12-16)19-21-17(22-25-19)13-20-18(23)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 97226046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).