ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate

C17H20N2O4 — CID 110766273

IUPACethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3oc(C)nc3c2)CC1
InChIInChI=1S/C17H20N2O4/c1-3-22-17(21)12-6-8-19(9-7-12)16(20)13-4-5-15-14(10-13)18-11(2)23-15/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyLDSJVBYOPRMUPS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.55
Rot. Bonds3

About ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 110766273) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID110766273
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3oc(C)nc3c2)CC1
InChIInChI=1S/C17H20N2O4/c1-3-22-17(21)12-6-8-19(9-7-12)16(20)13-4-5-15-14(10-13)18-11(2)23-15/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyLDSJVBYOPRMUPS-UHFFFAOYSA-N
XLogP2.55
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387974
2-ethyl-1-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110399491
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbaldehyde
CID 110387912
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
(2-methyl-1,3-benzoxazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110399539
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110399523
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
ethyl 1-(3-benzyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 20955907
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate (CID 110766273) is ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3oc(C)nc3c2)CC1.
What is the InChIKey of ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is LDSJVBYOPRMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-22-17(21)12-6-8-19(9-7-12)16(20)13-4-5-15-14(10-13)18-11(2)23-15/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 110766273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).