ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate

C12H17N3O4 — CID 75417290

IUPACethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2ccon2)C1
InChIInChI=1S/C12H17N3O4/c1-2-18-12(17)13-9-4-3-6-15(8-9)11(16)10-5-7-19-14-10/h5,7,9H,2-4,6,8H2,1H3,(H,13,17)
InChIKeyHWDLOOWRFTUFIX-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.03
Rot. Bonds3

About ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate

ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate (PubChem CID 75417290) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
PubChem CID75417290
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nameethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2ccon2)C1
InChIInChI=1S/C12H17N3O4/c1-2-18-12(17)13-9-4-3-6-15(8-9)11(16)10-5-7-19-14-10/h5,7,9H,2-4,6,8H2,1H3,(H,13,17)
InChIKeyHWDLOOWRFTUFIX-UHFFFAOYSA-N
XLogP1.03
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]urea
CID 177272408
ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
CID 62083190
[(3S)-3-(3,5-dimethoxyanilino)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124568909
ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
CID 87018917
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
ethyl N-[(3R)-1-(2-chloro-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 94140906
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
ethyl N-[(3R)-1-[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperidin-3-yl]carbamate
CID 94140930
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate (CID 75417290) is ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)c2ccon2)C1.
What is the InChIKey of ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is HWDLOOWRFTUFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-18-12(17)13-9-4-3-6-15(8-9)11(16)10-5-7-19-14-10/h5,7,9H,2-4,6,8H2,1H3,(H,13,17).
What are the key properties of ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate?
ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 267.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 75417290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).