2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate

C19H28N2O3 — CID 123453208

IUPAC2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate
SMILESCC=CC(COC(=O)N1CCC(c2nc(CC)co2)CC1)=C(C)C
InChIInChI=1S/C19H28N2O3/c1-5-7-16(14(3)4)12-24-19(22)21-10-8-15(9-11-21)18-20-17(6-2)13-23-18/h5,7,13,15H,6,8-12H2,1-4H3
InChIKeyBCIWZISQXZRSKF-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.47
Rot. Bonds5

About 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate

2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate (PubChem CID 123453208) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate
PubChem CID123453208
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate
SMILESCC=CC(COC(=O)N1CCC(c2nc(CC)co2)CC1)=C(C)C
InChIInChI=1S/C19H28N2O3/c1-5-7-16(14(3)4)12-24-19(22)21-10-8-15(9-11-21)18-20-17(6-2)13-23-18/h5,7,13,15H,6,8-12H2,1-4H3
InChIKeyBCIWZISQXZRSKF-UHFFFAOYSA-N
XLogP4.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;1-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 18700401
4-[4-(chloromethyl)-1,3-oxazol-2-yl]piperidine-1-carboxylic acid
CID 123589448
tert-butyl 4-[2-(aminomethyl)-1,3-oxazol-4-yl]piperidine-1-carboxylate
CID 115051757
[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
CID 115082061
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
(2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene
CID 143347302
1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082176
2-cyclopropyl-4-propyl-1,3-oxazole
CID 89181319
ethyl 4-(5,7-dimethyl-2-benzofuran-1-yl)piperidine-1-carboxylate
CID 57005479
2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 141175304
ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
CID 57173709
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanol
CID 115082141

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate (CID 123453208) is 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate is CC=CC(COC(=O)N1CCC(c2nc(CC)co2)CC1)=C(C)C.
What is the InChIKey of 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate?
The InChIKey is BCIWZISQXZRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-7-16(14(3)4)12-24-19(22)21-10-8-15(9-11-21)18-20-17(6-2)13-23-18/h5,7,13,15H,6,8-12H2,1-4H3.
What are the key properties of 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate?
2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidenepent-3-enyl 4-(4-ethyl-1,3-oxazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 123453208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).