(3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C13H21N3O2 — CID 129067956

IUPAC(3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCc1nocc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H21N3O2/c1-4-12-11(9-18-14-12)13(17)16-7-5-15(6-8-16)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyGXWWZYCQQDMMFQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.40
Rot. Bonds3

About (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 129067956) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID129067956
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCc1nocc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H21N3O2/c1-4-12-11(9-18-14-12)13(17)16-7-5-15(6-8-16)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyGXWWZYCQQDMMFQ-UHFFFAOYSA-N
XLogP1.40
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146107545
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 102810159
(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 135208529
ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 110853959
(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 113237342
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
(2-chloro-5-sulfanylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 107023233
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 162486514
(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024444
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168742

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 129067956) is (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CCc1nocc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is GXWWZYCQQDMMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-12-11(9-18-14-12)13(17)16-7-5-15(6-8-16)10(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 129067956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).