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

C16H27N3O3 — CID 103275614

IUPACtert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cnc(CNCC2CCCN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H27N3O3/c1-12-8-18-14(21-12)10-17-9-13-6-5-7-19(11-13)15(20)22-16(2,3)4/h8,13,17H,5-7,9-11H2,1-4H3
InChIKeyQQBNZWRMMBEKBE-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.72
Rot. Bonds4

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

tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate (PubChem CID 103275614) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
PubChem CID103275614
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cnc(CNCC2CCCN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H27N3O3/c1-12-8-18-14(21-12)10-17-9-13-6-5-7-19(11-13)15(20)22-16(2,3)4/h8,13,17H,5-7,9-11H2,1-4H3
InChIKeyQQBNZWRMMBEKBE-UHFFFAOYSA-N
XLogP2.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79489005
tert-butyl 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103700052
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103851501
tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate
CID 95307367
tert-butyl 3-[[(2,5-dimethylthiophen-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103700048
tert-butyl (3R)-3-[[(4-aminophenyl)methylamino]methyl]piperidine-1-carboxylate
CID 51710070
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 86329315
tert-butyl (3S)-3-[[(2-chloropyrimidin-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 97172343
tert-butyl 3-[(2H-tetrazol-5-ylmethylamino)methyl]piperidine-1-carboxylate
CID 80547209
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate (CID 103275614) is tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate is Cc1cnc(CNCC2CCCN(C(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is QQBNZWRMMBEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-8-18-14(21-12)10-17-9-13-6-5-7-19(11-13)15(20)22-16(2,3)4/h8,13,17H,5-7,9-11H2,1-4H3.
What are the key properties of tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103275614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).