5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C16H25N5O — CID 3072842

IUPAC5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCN(C)c1ccc(N2CCN(CC3CN=C(N)O3)CC2)cc1
InChIInChI=1S/C16H25N5O/c1-19(2)13-3-5-14(6-4-13)21-9-7-20(8-10-21)12-15-11-18-16(17)22-15/h3-6,15H,7-12H2,1-2H3,(H2,17,18)
InChIKeyPAGGCFCCWFPUFN-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.59
Rot. Bonds4

About 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 3072842) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID3072842
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCN(C)c1ccc(N2CCN(CC3CN=C(N)O3)CC2)cc1
InChIInChI=1S/C16H25N5O/c1-19(2)13-3-5-14(6-4-13)21-9-7-20(8-10-21)12-15-11-18-16(17)22-15/h3-6,15H,7-12H2,1-2H3,(H2,17,18)
InChIKeyPAGGCFCCWFPUFN-UHFFFAOYSA-N
XLogP0.59
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 3072842) is 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine is CN(C)c1ccc(N2CCN(CC3CN=C(N)O3)CC2)cc1.
What is the InChIKey of 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is PAGGCFCCWFPUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19(2)13-3-5-14(6-4-13)21-9-7-20(8-10-21)12-15-11-18-16(17)22-15/h3-6,15H,7-12H2,1-2H3,(H2,17,18).
What are the key properties of 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 303.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 3072842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).