(2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

C17H20ClN5O3 — CID 124618769

IUPAC(2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN5O3/c1-11-16(24)22(2)9-10-23(11)17(25)19-8-7-14-20-15(21-26-14)12-3-5-13(18)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,25)/t11-/m1/s1
InChIKeyMMOZCMXFYLBILX-LLVKDONJSA-N
MW377.83 g/mol
LogP1.80
Rot. Bonds4

About (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

(2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 124618769) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID124618769
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name(2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN5O3/c1-11-16(24)22(2)9-10-23(11)17(25)19-8-7-14-20-15(21-26-14)12-3-5-13(18)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,25)/t11-/m1/s1
InChIKeyMMOZCMXFYLBILX-LLVKDONJSA-N
XLogP1.80
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
cis-(1R,2S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131462
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111111918
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111555025
(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
CID 119782360
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154567112
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 51218802
(5S)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 124750059
4-(azetidine-1-carbonyl)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288556
2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120989493

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (CID 124618769) is (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is C[C@@H]1C(=O)N(C)CCN1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is MMOZCMXFYLBILX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-11-16(24)22(2)9-10-23(11)17(25)19-8-7-14-20-15(21-26-14)12-3-5-13(18)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,25)/t11-/m1/s1.
What are the key properties of (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
(2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 124618769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).