(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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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).