4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde

C10H15N3O2 — CID 112713700

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(N2CCN(C)CC2)oc1C=O
InChIInChI=1S/C10H15N3O2/c1-8-9(7-14)15-10(11-8)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3
InChIKeyRTYXFDOJRZKFGX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.55
Rot. Bonds2

About 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde

4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde (PubChem CID 112713700) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde
PubChem CID112713700
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(N2CCN(C)CC2)oc1C=O
InChIInChI=1S/C10H15N3O2/c1-8-9(7-14)15-10(11-8)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3
InChIKeyRTYXFDOJRZKFGX-UHFFFAOYSA-N
XLogP0.55
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde
CID 112712822
5,7-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole;hydroiodide
CID 172715291
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
methyl 2-(4-methylpiperazin-1-yl)-1,3-benzoxazole-4-carboxylate
CID 66874717
2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 20729790
1-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-ol
CID 83484768
4-methyl-2-(4-methylthian-4-yl)-1,3-oxazole-5-carbaldehyde
CID 115035108
5,7-dichloro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole;phosphane;pentahydrochloride
CID 173248750
2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanamine
CID 83879439
6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
CID 123546066
2-(2-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106956316
5-(4-methylpiperazin-1-yl)-1H-pyrazole-4-carbaldehyde
CID 91098401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde (CID 112713700) is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde is Cc1nc(N2CCN(C)CC2)oc1C=O.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde?
The InChIKey is RTYXFDOJRZKFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8-9(7-14)15-10(11-8)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde?
4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 112713700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).