ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate

C16H24N2O4 — CID 94809108

IUPACethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1
InChIInChI=1S/C16H24N2O4/c1-5-21-16(20)12-7-6-8-18(9-12)15(19)13-11(4)17-22-14(13)10(2)3/h10,12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyLZPKRCOWMIZGRW-GFCCVEGCSA-N
MW308.38 g/mol
LogP2.52
Rot. Bonds4

About ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate

ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 94809108) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID94809108
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nameethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1
InChIInChI=1S/C16H24N2O4/c1-5-21-16(20)12-7-6-8-18(9-12)15(19)13-11(4)17-22-14(13)10(2)3/h10,12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyLZPKRCOWMIZGRW-GFCCVEGCSA-N
XLogP2.52
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
ethyl (3R)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338794
ethyl (3S)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338391
2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide
CID 95292316
ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate
CID 110676451
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 1147643
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate (CID 94809108) is ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1.
What is the InChIKey of ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is LZPKRCOWMIZGRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-21-16(20)12-7-6-8-18(9-12)15(19)13-11(4)17-22-14(13)10(2)3/h10,12H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 94809108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).