[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone

C19H25N3O2 — CID 53146498

IUPAC[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(c3cc(N)on3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)15-6-4-14(5-7-15)18(23)22-10-8-13(9-11-22)16-12-17(20)24-21-16/h4-7,12-13H,8-11,20H2,1-3H3
InChIKeyFMXQOBHDRVORAW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.57
Rot. Bonds2

About [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone

[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone (PubChem CID 53146498) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone
PubChem CID53146498
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(c3cc(N)on3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)15-6-4-14(5-7-15)18(23)22-10-8-13(9-11-22)16-12-17(20)24-21-16/h4-7,12-13H,8-11,20H2,1-3H3
InChIKeyFMXQOBHDRVORAW-UHFFFAOYSA-N
XLogP3.57
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone?
The IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone (CID 53146498) is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone.
What is the SMILES notation for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone?
The canonical SMILES for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)N2CCC(c3cc(N)on3)CC2)cc1.
What is the InChIKey of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone?
The InChIKey is FMXQOBHDRVORAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)15-6-4-14(5-7-15)18(23)22-10-8-13(9-11-22)16-12-17(20)24-21-16/h4-7,12-13H,8-11,20H2,1-3H3.
What are the key properties of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone?
[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 53146498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).