ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate

C15H18ClN3O3 — CID 68700029

IUPACethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H18ClN3O3/c1-2-21-15(20)19-7-5-11(6-8-19)17-14-18-12-4-3-10(16)9-13(12)22-14/h3-4,9,11H,2,5-8H2,1H3,(H,17,18)
InChIKeyNCVOAPWILPCLOT-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.51
Rot. Bonds3

About ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate (PubChem CID 68700029) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
PubChem CID68700029
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Nameethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H18ClN3O3/c1-2-21-15(20)19-7-5-11(6-8-19)17-14-18-12-4-3-10(16)9-13(12)22-14/h3-4,9,11H,2,5-8H2,1H3,(H,17,18)
InChIKeyNCVOAPWILPCLOT-UHFFFAOYSA-N
XLogP3.51
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(6-chloro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 68971812
6-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 46882226
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
6-chloro-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 69252693
ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 57360960
ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 166442180
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-(4-chloro-2-formamidoanilino)piperidine-1-carboxylate
CID 168651983
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate (CID 68700029) is ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is NCVOAPWILPCLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-2-21-15(20)19-7-5-11(6-8-19)17-14-18-12-4-3-10(16)9-13(12)22-14/h3-4,9,11H,2,5-8H2,1H3,(H,17,18).
What are the key properties of ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 323.78 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 68700029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).