(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

C18H21N3O4 — CID 47013955

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCc1cc(COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)on1
InChIInChI=1S/C18H21N3O4/c1-13-10-16(25-20-13)12-24-17(22)14-6-5-9-21(11-14)18(23)19-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,19,23)
InChIKeyJPMKRVQBZHIBCT-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.97
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 47013955) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID47013955
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCc1cc(COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)on1
InChIInChI=1S/C18H21N3O4/c1-13-10-16(25-20-13)12-24-17(22)14-6-5-9-21(11-14)18(23)19-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,19,23)
InChIKeyJPMKRVQBZHIBCT-UHFFFAOYSA-N
XLogP2.97
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55534165
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426090
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55529976
(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55552818
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426124
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426064

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 47013955) is (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is Cc1cc(COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is JPMKRVQBZHIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-10-16(25-20-13)12-24-17(22)14-6-5-9-21(11-14)18(23)19-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,19,23).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 47013955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).