(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone

C9H14N4O2 — CID 117214996

IUPAC(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N)on2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(14)7-6-8(10)15-11-7/h6H,2-5,10H2,1H3
InChIKeyULDXPVSVUZWANW-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.36
Rot. Bonds1

About (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone

(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 117214996) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID117214996
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N)on2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(14)7-6-8(10)15-11-7/h6H,2-5,10H2,1H3
InChIKeyULDXPVSVUZWANW-UHFFFAOYSA-N
XLogP-0.36
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368983
[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862422
[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50978195
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368967
3-(4-acetyl-1,4-diazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369448

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 117214996) is (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(N)on2)CC1.
What is the InChIKey of (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ULDXPVSVUZWANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(14)7-6-8(10)15-11-7/h6H,2-5,10H2,1H3.
What are the key properties of (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 210.24 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 117214996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).