2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole

C14H25N3O — CID 106376633

IUPAC2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCNC(C(C)(C)C)C2)o1
InChIInChI=1S/C14H25N3O/c1-5-11-8-16-13(18-11)10-17-7-6-15-12(9-17)14(2,3)4/h8,12,15H,5-7,9-10H2,1-4H3
InChIKeyIXQWVJUVUIIKTR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.06
Rot. Bonds3

About 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole

2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (PubChem CID 106376633) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
PubChem CID106376633
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCNC(C(C)(C)C)C2)o1
InChIInChI=1S/C14H25N3O/c1-5-11-8-16-13(18-11)10-17-7-6-15-12(9-17)14(2,3)4/h8,12,15H,5-7,9-10H2,1-4H3
InChIKeyIXQWVJUVUIIKTR-UHFFFAOYSA-N
XLogP2.06
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376587
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376648
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one
CID 106373083
3-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 64869919
2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole
CID 106376662
3-tert-butyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane
CID 64948853
3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64834620
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449208
3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64834227
2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
CID 167865720
5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377497

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (CID 106376633) is 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole is CCc1cnc(CN2CCNC(C(C)(C)C)C2)o1.
What is the InChIKey of 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The InChIKey is IXQWVJUVUIIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-11-8-16-13(18-11)10-17-7-6-15-12(9-17)14(2,3)4/h8,12,15H,5-7,9-10H2,1-4H3.
What are the key properties of 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole has a molecular weight of 251.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole is sourced from PubChem (CID 106376633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).