N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C17H23N5O4 — CID 95723989

IUPACN-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C17H23N5O4/c1-3-21(10-15-19-12(2)26-20-15)16(23)8-14-17(24)18-5-6-22(14)9-13-4-7-25-11-13/h4,7,11,14H,3,5-6,8-10H2,1-2H3,(H,18,24)/t14-/m0/s1
InChIKeyDDNBMPUCXQQCHW-AWEZNQCLSA-N
MW361.40 g/mol
LogP0.71
Rot. Bonds7

About N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 95723989) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID95723989
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C17H23N5O4/c1-3-21(10-15-19-12(2)26-20-15)16(23)8-14-17(24)18-5-6-22(14)9-13-4-7-25-11-13/h4,7,11,14H,3,5-6,8-10H2,1-2H3,(H,18,24)/t14-/m0/s1
InChIKeyDDNBMPUCXQQCHW-AWEZNQCLSA-N
XLogP0.71
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 95723989) is N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CCN(Cc1noc(C)n1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1.
What is the InChIKey of N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is DDNBMPUCXQQCHW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-3-21(10-15-19-12(2)26-20-15)16(23)8-14-17(24)18-5-6-22(14)9-13-4-7-25-11-13/h4,7,11,14H,3,5-6,8-10H2,1-2H3,(H,18,24)/t14-/m0/s1.
What are the key properties of N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 95723989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).