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

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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).