N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide

C19H32N4O2 — CID 97211544

IUPACN-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@H](CC(=O)NC2(c3noc(CN(C)C)n3)CCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-14-7-6-8-15(11-14)12-16(24)21-19(9-4-5-10-19)18-20-17(25-22-18)13-23(2)3/h14-15H,4-13H2,1-3H3,(H,21,24)/t14-,15+/m1/s1
InChIKeySEIWIMWMYHLJMC-CABCVRRESA-N
MW348.49 g/mol
LogP3.23
Rot. Bonds6

About N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide

N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide (PubChem CID 97211544) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide
PubChem CID97211544
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@H](CC(=O)NC2(c3noc(CN(C)C)n3)CCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-14-7-6-8-15(11-14)12-16(24)21-19(9-4-5-10-19)18-20-17(25-22-18)13-23(2)3/h14-15H,4-13H2,1-3H3,(H,21,24)/t14-,15+/m1/s1
InChIKeySEIWIMWMYHLJMC-CABCVRRESA-N
XLogP3.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide?
The IUPAC name of N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide (CID 97211544) is N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide?
The canonical SMILES for N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide is C[C@@H]1CCC[C@H](CC(=O)NC2(c3noc(CN(C)C)n3)CCCC2)C1.
What is the InChIKey of N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide?
The InChIKey is SEIWIMWMYHLJMC-CABCVRRESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-7-6-8-15(11-14)12-16(24)21-19(9-4-5-10-19)18-20-17(25-22-18)13-23(2)3/h14-15H,4-13H2,1-3H3,(H,21,24)/t14-,15+/m1/s1.
What are the key properties of N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide?
N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 97211544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).