2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

C18H20F2N4O3 — CID 24819525

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F
InChIInChI=1S/C18H20F2N4O3/c1-23(11-13-5-8-27-22-13)16(25)9-15-18(26)21-6-7-24(15)10-12-3-2-4-14(19)17(12)20/h2-5,8,15H,6-7,9-11H2,1H3,(H,21,26)
InChIKeyQWNKOCNAJBCRSW-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.30
Rot. Bonds6

About 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 24819525) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID24819525
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F
InChIInChI=1S/C18H20F2N4O3/c1-23(11-13-5-8-27-22-13)16(25)9-15-18(26)21-6-7-24(15)10-12-3-2-4-14(19)17(12)20/h2-5,8,15H,6-7,9-11H2,1H3,(H,21,26)
InChIKeyQWNKOCNAJBCRSW-UHFFFAOYSA-N
XLogP1.30
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 24819525) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is CN(Cc1ccon1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is QWNKOCNAJBCRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-23(11-13-5-8-27-22-13)16(25)9-15-18(26)21-6-7-24(15)10-12-3-2-4-14(19)17(12)20/h2-5,8,15H,6-7,9-11H2,1H3,(H,21,26).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 378.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 24819525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).