ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate

C19H21ClN6O4 — CID 3363292

IUPACethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2COc2ccc(Cl)cc2-c2ccno2)CC1
InChIInChI=1S/C19H21ClN6O4/c1-2-28-19(27)25-9-6-14(7-10-25)26-18(22-23-24-26)12-29-16-4-3-13(20)11-15(16)17-5-8-21-30-17/h3-5,8,11,14H,2,6-7,9-10,12H2,1H3
InChIKeyIDRZVXRDLBFCHM-UHFFFAOYSA-N
MW432.87 g/mol
LogP3.35
Rot. Bonds6

About ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate

ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate (PubChem CID 3363292) has the molecular formula C19H21ClN6O4 and a molecular weight of 432.87 g/mol. Its IUPAC name is ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate
PubChem CID3363292
Molecular FormulaC19H21ClN6O4
Molecular Weight432.87 g/mol
Exact Mass432.13
IUPAC Nameethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2COc2ccc(Cl)cc2-c2ccno2)CC1
InChIInChI=1S/C19H21ClN6O4/c1-2-28-19(27)25-9-6-14(7-10-25)26-18(22-23-24-26)12-29-16-4-3-13(20)11-15(16)17-5-8-21-30-17/h3-5,8,11,14H,2,6-7,9-10,12H2,1H3
InChIKeyIDRZVXRDLBFCHM-UHFFFAOYSA-N
XLogP3.35
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate (CID 3363292) is ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2nnnc2COc2ccc(Cl)cc2-c2ccno2)CC1.
What is the InChIKey of ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is IDRZVXRDLBFCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O4/c1-2-28-19(27)25-9-6-14(7-10-25)26-18(22-23-24-26)12-29-16-4-3-13(20)11-15(16)17-5-8-21-30-17/h3-5,8,11,14H,2,6-7,9-10,12H2,1H3.
What are the key properties of ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 432.87 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 3363292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).