ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate

C19H23N3O4 — CID 2813591

IUPACethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C19H23N3O4/c1-3-25-18(23)15-9-11-22(12-10-15)19(24)20-16-13(2)26-21-17(16)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3,(H,20,24)
InChIKeyBPWFFHGPJXABQJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.46
Rot. Bonds4

About ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate (PubChem CID 2813591) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate
PubChem CID2813591
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nameethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C19H23N3O4/c1-3-25-18(23)15-9-11-22(12-10-15)19(24)20-16-13(2)26-21-17(16)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3,(H,20,24)
InChIKeyBPWFFHGPJXABQJ-UHFFFAOYSA-N
XLogP3.46
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate (CID 2813591) is ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2c(-c3ccccc3)noc2C)CC1.
What is the InChIKey of ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is BPWFFHGPJXABQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-25-18(23)15-9-11-22(12-10-15)19(24)20-16-13(2)26-21-17(16)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3,(H,20,24).
What are the key properties of ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2813591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).