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

C15H17ClN2O3 — CID 57360960

IUPACethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H17ClN2O3/c1-2-20-14(19)10-5-7-18(8-6-10)15-17-12-4-3-11(16)9-13(12)21-15/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDMQMQKLPILIRDT-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.26
Rot. Bonds3

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

ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate (PubChem CID 57360960) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
PubChem CID57360960
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Nameethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H17ClN2O3/c1-2-20-14(19)10-5-7-18(8-6-10)15-17-12-4-3-11(16)9-13(12)21-15/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDMQMQKLPILIRDT-UHFFFAOYSA-N
XLogP3.26
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 154570414
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 154565639
1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide
CID 155500343
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 154821040
ethyl 3-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154563768
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
1-(6-chloro-1,3-benzoxazol-2-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 154567877
1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
CID 83842622
ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
CID 68700029
4-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dimethylpiperazin-2-one
CID 154819248

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate (CID 57360960) is ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The InChIKey is DMQMQKLPILIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-2-20-14(19)10-5-7-18(8-6-10)15-17-12-4-3-11(16)9-13(12)21-15/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate has a molecular weight of 308.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 57360960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).