4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole

C13H22N2O — CID 105479693

IUPAC4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-9-11(13(2,3)4)15-12(16-9)10-5-7-14-8-6-10/h10,14H,5-8H2,1-4H3
InChIKeyABXYXRNSNPYUGV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.75
Rot. Bonds1

About 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole

4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole (PubChem CID 105479693) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole
PubChem CID105479693
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-9-11(13(2,3)4)15-12(16-9)10-5-7-14-8-6-10/h10,14H,5-8H2,1-4H3
InChIKeyABXYXRNSNPYUGV-UHFFFAOYSA-N
XLogP2.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
CID 105462175
5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
CID 84793594
2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 105458332
5-methoxy-4-methyl-2-piperidin-4-yl-1,3-oxazole
CID 105449938
5-phenyl-2-piperidin-4-yl-4-(trifluoromethyl)-1,3-oxazole
CID 174567175
methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
CID 178200025
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
2-(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)morpholine
CID 105461830
(5-methyl-4-piperidin-4-yl-1,3-oxazol-2-yl)methanol
CID 115020647
2-cyclopropyl-5-methyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115019146
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole (CID 105479693) is 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole is Cc1oc(C2CCNCC2)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is ABXYXRNSNPYUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-11(13(2,3)4)15-12(16-9)10-5-7-14-8-6-10/h10,14H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole?
4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 222.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 105479693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).