N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide

C16H19N3O3 — CID 111426410

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESO=C(NCC(O)C1CCCC1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C16H19N3O3/c20-14(11-3-1-2-4-11)9-17-16(21)13-7-5-12(6-8-13)15-18-10-22-19-15/h5-8,10-11,14,20H,1-4,9H2,(H,17,21)
InChIKeyFARBXTQITYOJND-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.02
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide

N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 111426410) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID111426410
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESO=C(NCC(O)C1CCCC1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C16H19N3O3/c20-14(11-3-1-2-4-11)9-17-16(21)13-7-5-12(6-8-13)15-18-10-22-19-15/h5-8,10-11,14,20H,1-4,9H2,(H,17,21)
InChIKeyFARBXTQITYOJND-UHFFFAOYSA-N
XLogP2.02
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621245
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621248
N-(2-cyclohexyl-2-hydroxyethyl)-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 102561389
N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide
CID 91624535
N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021591
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 111426410) is N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide is O=C(NCC(O)C1CCCC1)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is FARBXTQITYOJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(11-3-1-2-4-11)9-17-16(21)13-7-5-12(6-8-13)15-18-10-22-19-15/h5-8,10-11,14,20H,1-4,9H2,(H,17,21).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 111426410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).