N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide

C12H18N4O3 — CID 66334816

IUPACN-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)c1oncc1C
InChIInChI=1S/C12H18N4O3/c1-3-14-11(17)9-7-13-4-5-16(9)12(18)10-8(2)6-15-19-10/h6,9,13H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyNKDCIGGABLIFKB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.47
Rot. Bonds3

About N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide

N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide (PubChem CID 66334816) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
PubChem CID66334816
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)c1oncc1C
InChIInChI=1S/C12H18N4O3/c1-3-14-11(17)9-7-13-4-5-16(9)12(18)10-8(2)6-15-19-10/h6,9,13H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyNKDCIGGABLIFKB-UHFFFAOYSA-N
XLogP-0.47
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 105064126
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
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CID 95708878
1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide
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methyl 4-(4-methyl-1,2-oxazole-5-carbonyl)morpholine-3-carboxylate
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1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
CID 107990513
N-ethyl-1-(piperidine-1-carbonyl)piperazine-2-carboxamide
CID 79155644
1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide
CID 56887634
N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide
CID 83191736
N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide
CID 112603458
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide (CID 66334816) is N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1C(=O)c1oncc1C.
What is the InChIKey of N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide?
The InChIKey is NKDCIGGABLIFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-14-11(17)9-7-13-4-5-16(9)12(18)10-8(2)6-15-19-10/h6,9,13H,3-5,7H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide?
N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 66334816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).