(4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone

C9H13N3O2 — CID 110849739

IUPAC(4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnoc2)CC1
InChIInChI=1S/C9H13N3O2/c1-11-2-4-12(5-3-11)9(13)8-6-10-14-7-8/h6-7H,2-5H2,1H3
InChIKeyNDBFGIFXPXGYJJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.06
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone

(4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone (PubChem CID 110849739) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone
PubChem CID110849739
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnoc2)CC1
InChIInChI=1S/C9H13N3O2/c1-11-2-4-12(5-3-11)9(13)8-6-10-14-7-8/h6-7H,2-5H2,1H3
InChIKeyNDBFGIFXPXGYJJ-UHFFFAOYSA-N
XLogP0.06
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 104606942
(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 135208529
[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 167323293
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone (CID 110849739) is (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone is CN1CCN(C(=O)c2cnoc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone?
The InChIKey is NDBFGIFXPXGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-2-4-12(5-3-11)9(13)8-6-10-14-7-8/h6-7H,2-5H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone?
(4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 110849739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).