ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate

C14H21N3O4 — CID 77094000

IUPACethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C14H21N3O4/c1-4-20-14(19)17-7-5-11(6-8-17)16-13(18)12-9(2)15-10(3)21-12/h11H,4-8H2,1-3H3,(H,16,18)
InChIKeyBPPQUIRLZSTBIH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.64
Rot. Bonds3

About ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 77094000) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID77094000
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C14H21N3O4/c1-4-20-14(19)17-7-5-11(6-8-17)16-13(18)12-9(2)15-10(3)21-12/h11H,4-8H2,1-3H3,(H,16,18)
InChIKeyBPPQUIRLZSTBIH-UHFFFAOYSA-N
XLogP1.64
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate (CID 77094000) is ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2oc(C)nc2C)CC1.
What is the InChIKey of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is BPPQUIRLZSTBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-20-14(19)17-7-5-11(6-8-17)16-13(18)12-9(2)15-10(3)21-12/h11H,4-8H2,1-3H3,(H,16,18).
What are the key properties of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 77094000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).