(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C21H21N3O4S — CID 7836511

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N3O4S/c25-20(28-14-17-13-27-19(22-17)18-7-4-12-29-18)15-8-10-24(11-9-15)21(26)23-16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2,(H,23,26)
InChIKeyPRISNXUDPZECFO-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.39
Rot. Bonds5

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836511) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836511
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N3O4S/c25-20(28-14-17-13-27-19(22-17)18-7-4-12-29-18)15-8-10-24(11-9-15)21(26)23-16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2,(H,23,26)
InChIKeyPRISNXUDPZECFO-UHFFFAOYSA-N
XLogP4.39
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711807
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
CID 7683796
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119661796
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55529976
1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167729
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-naphthalen-1-ylacetate
CID 7782747
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate
CID 25470896

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836511) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C(OCc1coc(-c2cccs2)n1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is PRISNXUDPZECFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c25-20(28-14-17-13-27-19(22-17)18-7-4-12-29-18)15-8-10-24(11-9-15)21(26)23-16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2,(H,23,26).
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).