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

C18H25N5O4 — CID 56901730

IUPAC2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1noc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccoc2)n1
InChIInChI=1S/C18H25N5O4/c1-12(2)17-20-15(27-21-17)10-22(3)16(24)8-14-18(25)19-5-6-23(14)9-13-4-7-26-11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3,(H,19,25)
InChIKeyVYONWNBMAXJUDN-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.14
Rot. Bonds7

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

2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 56901730) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID56901730
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1noc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccoc2)n1
InChIInChI=1S/C18H25N5O4/c1-12(2)17-20-15(27-21-17)10-22(3)16(24)8-14-18(25)19-5-6-23(14)9-13-4-7-26-11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3,(H,19,25)
InChIKeyVYONWNBMAXJUDN-UHFFFAOYSA-N
XLogP1.14
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 56901730) is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(C)c1noc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccoc2)n1.
What is the InChIKey of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is VYONWNBMAXJUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-12(2)17-20-15(27-21-17)10-22(3)16(24)8-14-18(25)19-5-6-23(14)9-13-4-7-26-11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3,(H,19,25).
What are the key properties of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 56901730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).