3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide

C16H28N4O3 — CID 38585265

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCc1nc(C(C)(C)C)no1)N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12(20-7-9-22-10-8-20)11-17-13(21)5-6-14-18-15(19-23-14)16(2,3)4/h12H,5-11H2,1-4H3,(H,17,21)/t12-/m0/s1
InChIKeyMMUNKLAQRUIJGK-LBPRGKRZSA-N
MW324.43 g/mol
LogP1.14
Rot. Bonds6

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide (PubChem CID 38585265) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
PubChem CID38585265
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCc1nc(C(C)(C)C)no1)N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12(20-7-9-22-10-8-20)11-17-13(21)5-6-14-18-15(19-23-14)16(2,3)4/h12H,5-11H2,1-4H3,(H,17,21)/t12-/m0/s1
InChIKeyMMUNKLAQRUIJGK-LBPRGKRZSA-N
XLogP1.14
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide (CID 38585265) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide is C[C@@H](CNC(=O)CCc1nc(C(C)(C)C)no1)N1CCOCC1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
The InChIKey is MMUNKLAQRUIJGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12(20-7-9-22-10-8-20)11-17-13(21)5-6-14-18-15(19-23-14)16(2,3)4/h12H,5-11H2,1-4H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide is sourced from PubChem (CID 38585265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).