tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate

C15H24N2O3 — CID 131748456

IUPACtert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C15H24N2O3/c1-11-10-16-13(19-11)9-12-5-7-17(8-6-12)14(18)20-15(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyCCCJZNQZSRAOHM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 131748456) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate
PubChem CID131748456
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C15H24N2O3/c1-11-10-16-13(19-11)9-12-5-7-17(8-6-12)14(18)20-15(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyCCCJZNQZSRAOHM-UHFFFAOYSA-N
XLogP3.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-oxazole
CID 14685534
5-(Fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84774913
5-(Difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84784628
5-(2-Fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84791009
2-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 105493989
2-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126793781
2-[1-[4-(Fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole
CID 167754880
5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole
CID 19018558
5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
CID 19018570
2-Butyl-5-propan-2-yl-1,3-oxazole
CID 23395162
tert-Butyl 4-(2-methyloxazol-5-yl)piperidine-1-carboxylate
CID 24229301
2-Isopentyl-5-methyloxazole
CID 57742761

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate (CID 131748456) is tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate is Cc1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)o1.
What is the InChIKey of tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is CCCJZNQZSRAOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-10-16-13(19-11)9-12-5-7-17(8-6-12)14(18)20-15(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 131748456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).