N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C19H21F3N4O3 — CID 45244303

IUPACN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCN(Cc1ccno1)C(=O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O3/c1-25(12-15-5-6-24-29-15)17(27)10-16-18(28)23-7-8-26(16)11-13-3-2-4-14(9-13)19(20,21)22/h2-6,9,16H,7-8,10-12H2,1H3,(H,23,28)
InChIKeyGXLPVMJBNFVSGO-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 45244303) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID45244303
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCN(Cc1ccno1)C(=O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O3/c1-25(12-15-5-6-24-29-15)17(27)10-16-18(28)23-7-8-26(16)11-13-3-2-4-14(9-13)19(20,21)22/h2-6,9,16H,7-8,10-12H2,1H3,(H,23,28)
InChIKeyGXLPVMJBNFVSGO-UHFFFAOYSA-N
XLogP2.04
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 45244303) is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is CN(Cc1ccno1)C(=O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is GXLPVMJBNFVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-25(12-15-5-6-24-29-15)17(27)10-16-18(28)23-7-8-26(16)11-13-3-2-4-14(9-13)19(20,21)22/h2-6,9,16H,7-8,10-12H2,1H3,(H,23,28).
What are the key properties of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 410.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 45244303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).