ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate

C14H23N3O3 — CID 60972700

IUPACethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nc(C)c(C)o2)CC1
InChIInChI=1S/C14H23N3O3/c1-4-19-14(18)17-7-5-12(6-8-17)15-9-13-16-10(2)11(3)20-13/h12,15H,4-9H2,1-3H3
InChIKeyPCKYMKODZYEWOQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.00
Rot. Bonds4

About ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate

ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 60972700) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID60972700
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nc(C)c(C)o2)CC1
InChIInChI=1S/C14H23N3O3/c1-4-19-14(18)17-7-5-12(6-8-17)15-9-13-16-10(2)11(3)20-13/h12,15H,4-9H2,1-3H3
InChIKeyPCKYMKODZYEWOQ-UHFFFAOYSA-N
XLogP2.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
CID 106370571
ethyl 4-[[N'-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111808312
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 114448111
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
CID 103749538
ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 71921306
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate (CID 60972700) is ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2nc(C)c(C)o2)CC1.
What is the InChIKey of ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is PCKYMKODZYEWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-19-14(18)17-7-5-12(6-8-17)15-9-13-16-10(2)11(3)20-13/h12,15H,4-9H2,1-3H3.
What are the key properties of ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 60972700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).