5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C11H17N5O3 — CID 63601224

IUPAC5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC1C(=O)NCCN1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H17N5O3/c1-2-9-11(18)13-3-4-16(9)6-7-5-8(15-19-7)10(17)14-12/h5,9H,2-4,6,12H2,1H3,(H,13,18)(H,14,17)
InChIKeyTYEQMQFLIJTCNG-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.01
Rot. Bonds4

About 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63601224) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63601224
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC1C(=O)NCCN1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H17N5O3/c1-2-9-11(18)13-3-4-16(9)6-7-5-8(15-19-7)10(17)14-12/h5,9H,2-4,6,12H2,1H3,(H,13,18)(H,14,17)
InChIKeyTYEQMQFLIJTCNG-UHFFFAOYSA-N
XLogP-1.01
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909271
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 102728790
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 79507342
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
4-[(3-amino-4-hydroxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63602866
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572215
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
4-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63888466
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63601224) is 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is CCC1C(=O)NCCN1Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is TYEQMQFLIJTCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-9-11(18)13-3-4-16(9)6-7-5-8(15-19-7)10(17)14-12/h5,9H,2-4,6,12H2,1H3,(H,13,18)(H,14,17).
What are the key properties of 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 267.29 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63601224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).