3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine

C14H18N4O — CID 117399583

IUPAC3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CN3CCNCC3)cc2)no1
InChIInChI=1S/C14H18N4O/c15-14-9-13(17-19-14)12-3-1-11(2-4-12)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10,15H2
InChIKeyJTPJTLQRRJBXHR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.33
Rot. Bonds3

About 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine

3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117399583) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117399583
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CN3CCNCC3)cc2)no1
InChIInChI=1S/C14H18N4O/c15-14-9-13(17-19-14)12-3-1-11(2-4-12)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10,15H2
InChIKeyJTPJTLQRRJBXHR-UHFFFAOYSA-N
XLogP1.33
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117360432
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117445201
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
CID 11174238
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196786
azane;1-benzylpiperazine
CID 174866973

Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine (CID 117399583) is 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(CN3CCNCC3)cc2)no1.
What is the InChIKey of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is JTPJTLQRRJBXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-14-9-13(17-19-14)12-3-1-11(2-4-12)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10,15H2.
What are the key properties of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117399583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).