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

C18H31N3O3 — CID 114180017

IUPACtert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate
SMILESCc1cnc(CNC(C)CC2CCCCN2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H31N3O3/c1-13(19-12-16-20-11-14(2)23-16)10-15-8-6-7-9-21(15)17(22)24-18(3,4)5/h11,13,15,19H,6-10,12H2,1-5H3
InChIKeyVXVTWSLPXIBEKP-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.64
Rot. Bonds5

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

tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate (PubChem CID 114180017) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate
PubChem CID114180017
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate
SMILESCc1cnc(CNC(C)CC2CCCCN2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H31N3O3/c1-13(19-12-16-20-11-14(2)23-16)10-15-8-6-7-9-21(15)17(22)24-18(3,4)5/h11,13,15,19H,6-10,12H2,1-5H3
InChIKeyVXVTWSLPXIBEKP-UHFFFAOYSA-N
XLogP3.64
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate (CID 114180017) is tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate is Cc1cnc(CNC(C)CC2CCCCN2C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate?
The InChIKey is VXVTWSLPXIBEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-13(19-12-16-20-11-14(2)23-16)10-15-8-6-7-9-21(15)17(22)24-18(3,4)5/h11,13,15,19H,6-10,12H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 114180017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).