(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide

C16H28N4O2 — CID 95147928

IUPAC(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
SMILESCC(C)Cc1noc(CN(C)[C@@H](C)C(=O)NC2CCCC2)n1
InChIInChI=1S/C16H28N4O2/c1-11(2)9-14-18-15(22-19-14)10-20(4)12(3)16(21)17-13-7-5-6-8-13/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-/m0/s1
InChIKeyBHAHUDGKDKBRFD-LBPRGKRZSA-N
MW308.43 g/mol
LogP2.15
Rot. Bonds7

About (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide

(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide (PubChem CID 95147928) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
PubChem CID95147928
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
SMILESCC(C)Cc1noc(CN(C)[C@@H](C)C(=O)NC2CCCC2)n1
InChIInChI=1S/C16H28N4O2/c1-11(2)9-14-18-15(22-19-14)10-20(4)12(3)16(21)17-13-7-5-6-8-13/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-/m0/s1
InChIKeyBHAHUDGKDKBRFD-LBPRGKRZSA-N
XLogP2.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide (CID 95147928) is (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide is CC(C)Cc1noc(CN(C)[C@@H](C)C(=O)NC2CCCC2)n1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide?
The InChIKey is BHAHUDGKDKBRFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11(2)9-14-18-15(22-19-14)10-20(4)12(3)16(21)17-13-7-5-6-8-13/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide?
(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide has a molecular weight of 308.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide is sourced from PubChem (CID 95147928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).