1,2-oxazol-5-yl piperidine-1-carboxylate

C9H12N2O3 — CID 24866165

IUPAC1,2-oxazol-5-yl piperidine-1-carboxylate
SMILESO=C(Oc1ccno1)N1CCCCC1
InChIInChI=1S/C9H12N2O3/c12-9(11-6-2-1-3-7-11)13-8-4-5-10-14-8/h4-5H,1-3,6-7H2
InChIKeyNFPVCDYGYHQMME-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.66
Rot. Bonds1

About 1,2-oxazol-5-yl piperidine-1-carboxylate

1,2-oxazol-5-yl piperidine-1-carboxylate (PubChem CID 24866165) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,2-oxazol-5-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name1,2-oxazol-5-yl piperidine-1-carboxylate
PubChem CID24866165
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1,2-oxazol-5-yl piperidine-1-carboxylate
SMILESO=C(Oc1ccno1)N1CCCCC1
InChIInChI=1S/C9H12N2O3/c12-9(11-6-2-1-3-7-11)13-8-4-5-10-14-8/h4-5H,1-3,6-7H2
InChIKeyNFPVCDYGYHQMME-UHFFFAOYSA-N
XLogP1.66
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-oxazol-5-yl acetate
CID 42552872
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
1,3,4-oxadiazol-2-yl piperidine-1-carboxylate
CID 175191230
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192
[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4767757
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 106417708
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
CID 170622073
1H-indol-5-yl piperidine-1-carboxylate
CID 175932664
(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate
CID 175772814

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl piperidine-1-carboxylate?
The IUPAC name of 1,2-oxazol-5-yl piperidine-1-carboxylate (CID 24866165) is 1,2-oxazol-5-yl piperidine-1-carboxylate.
What is the SMILES notation for 1,2-oxazol-5-yl piperidine-1-carboxylate?
The canonical SMILES for 1,2-oxazol-5-yl piperidine-1-carboxylate is O=C(Oc1ccno1)N1CCCCC1.
What is the InChIKey of 1,2-oxazol-5-yl piperidine-1-carboxylate?
The InChIKey is NFPVCDYGYHQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-9(11-6-2-1-3-7-11)13-8-4-5-10-14-8/h4-5H,1-3,6-7H2.
What are the key properties of 1,2-oxazol-5-yl piperidine-1-carboxylate?
1,2-oxazol-5-yl piperidine-1-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl piperidine-1-carboxylate is sourced from PubChem (CID 24866165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).