ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate

C19H22N2O4 — CID 2973666

IUPACethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)on2)C1
InChIInChI=1S/C19H22N2O4/c1-3-24-19(23)15-5-4-10-21(12-15)18(22)16-11-17(25-20-16)14-8-6-13(2)7-9-14/h6-9,11,15H,3-5,10,12H2,1-2H3
InChIKeyYPNBBSPAPLQAFB-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.07
Rot. Bonds4

About ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate (PubChem CID 2973666) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate
PubChem CID2973666
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)on2)C1
InChIInChI=1S/C19H22N2O4/c1-3-24-19(23)15-5-4-10-21(12-15)18(22)16-11-17(25-20-16)14-8-6-13(2)7-9-14/h6-9,11,15H,3-5,10,12H2,1-2H3
InChIKeyYPNBBSPAPLQAFB-UHFFFAOYSA-N
XLogP3.07
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-(S)-4-{(2R,5S)-2-(4-Fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-((S)-2-oxo-piperidin-3-yl)-pent-2-enoic acid ethyl ester
CID 6478231
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
8-{[5-(4-Methylphenyl)-3-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1249903
6-Carbamoyl-4-(2-{3-[(5-methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-3-phenyl-propionylamino)-hex-2-enoic acid ethyl ester
CID 6477663
4-(3-(4-Fluoro-phenyl)-2-{3-methyl-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-butyrylamino}-propionylamino)-5-(2-oxo-piperidin-3-yl)-pent-2-enoic acid, ethyl ester
CID 6478230
benzyl (E,4S)-4-[[(2S)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-1-pyridyl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6478681
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate (CID 2973666) is ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)on2)C1.
What is the InChIKey of ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is YPNBBSPAPLQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-19(23)15-5-4-10-21(12-15)18(22)16-11-17(25-20-16)14-8-6-13(2)7-9-14/h6-9,11,15H,3-5,10,12H2,1-2H3.
What are the key properties of ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 2973666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).