2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole

C12H19N3O — CID 106376781

IUPAC2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCNC(C3CC3)C2)o1
InChIInChI=1S/C12H19N3O/c1-9-6-14-12(16-9)8-15-5-4-13-11(7-15)10-2-3-10/h6,10-11,13H,2-5,7-8H2,1H3
InChIKeyWQQZYDPIPPPWLS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.17
Rot. Bonds3

About 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole

2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 106376781) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID106376781
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCNC(C3CC3)C2)o1
InChIInChI=1S/C12H19N3O/c1-9-6-14-12(16-9)8-15-5-4-13-11(7-15)10-2-3-10/h6,10-11,13H,2-5,7-8H2,1H3
InChIKeyWQQZYDPIPPPWLS-UHFFFAOYSA-N
XLogP1.17
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376686
N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 119921868
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376771
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-5-tert-butyl-1,3-oxazole
CID 102682683
3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173891
5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 64950734
3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine
CID 82895989
5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644805
2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376633
3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 64832813
3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421539
5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126892374

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (CID 106376781) is 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is Cc1cnc(CN2CCNC(C3CC3)C2)o1.
What is the InChIKey of 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is WQQZYDPIPPPWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-14-12(16-9)8-15-5-4-13-11(7-15)10-2-3-10/h6,10-11,13H,2-5,7-8H2,1H3.
What are the key properties of 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 221.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106376781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).