[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C18H23N3O2 — CID 66751030

IUPAC[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)14-6-4-5-7-15(14)20-10-12-21(13-11-20)17(22)16-8-9-19-23-16/h4-9H,10-13H2,1-3H3
InChIKeyJJAHWEKYDKPHGP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.93
Rot. Bonds2

About [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 66751030) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID66751030
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)14-6-4-5-7-15(14)20-10-12-21(13-11-20)17(22)16-8-9-19-23-16/h4-9H,10-13H2,1-3H3
InChIKeyJJAHWEKYDKPHGP-UHFFFAOYSA-N
XLogP2.93
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
2-[4-[4-(2-tert-butylphenyl)piperazine-1-carbonyl]imidazol-1-yl]propanoic acid
CID 66792802
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 91049311
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
[4-(2-tert-butylphenyl)piperazin-1-yl]-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone
CID 66750926
2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
CID 46931248
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122332504
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 66751030) is [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is CC(C)(C)c1ccccc1N1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is JJAHWEKYDKPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)14-6-4-5-7-15(14)20-10-12-21(13-11-20)17(22)16-8-9-19-23-16/h4-9H,10-13H2,1-3H3.
What are the key properties of [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 66751030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).