4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole

C13H22N2O — CID 115033595

IUPAC4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
SMILESCC(C)(C)c1cnoc1CC1CCCCN1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-9-15-16-12(11)8-10-6-4-5-7-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyKVXRBQFUDLGKLD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.66
Rot. Bonds2

About 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole

4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole (PubChem CID 115033595) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
PubChem CID115033595
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
SMILESCC(C)(C)c1cnoc1CC1CCCCN1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-9-15-16-12(11)8-10-6-4-5-7-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyKVXRBQFUDLGKLD-UHFFFAOYSA-N
XLogP2.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
CID 115093549
4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054022
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
CID 115053966
4-tert-butyl-7-(piperidin-2-ylmethyl)isoquinoline
CID 117454055
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
5-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308308
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117441120
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 84667116

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole (CID 115033595) is 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole is CC(C)(C)c1cnoc1CC1CCCCN1.
What is the InChIKey of 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The InChIKey is KVXRBQFUDLGKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)11-9-15-16-12(11)8-10-6-4-5-7-14-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole has a molecular weight of 222.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 115033595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).